tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide

C145H285F3N28O13 — CID 161007578

IUPACtert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(C)(NC(=O)C2CC2)CC1.CC(C)N1CCC(C)(NC(=O)CC(C)(C)C)CC1.CC(C)N1CCC(C)(NC(=O)CC(F)(F)F)CC1.CCC(=O)NC1(C)CCN(C(C)C)CC1.CCN1CCN(CC2(NC(=O)C(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OC(C)(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OC)CCN(C(C)C)CC2)CC1.CCOC(=O)NC1(CN2CCN(CC)CC2)CCN(C(C)C)CC1
InChIInChI=1S/C20H40N4O2.C19H38N4O2.C19H38N4O.C18H36N4O2.C17H34N4O2.C15H30N2O.C13H24N2O.C12H21F3N2O.C12H24N2O/c1-7-22-12-14-23(15-13-22)16-20(21-18(25)26-19(4,5)6)8-10-24(11-9-20)17(2)3;1-6-21-11-13-22(14-12-21)15-19(20-18(24)25-17(4)5)7-9-23(10-8-19)16(2)3;1-6-21-11-13-22(14-12-21)15-19(20-18(24)16(2)3)7-9-23(10-8-19)17(4)5;1-5-20-11-13-21(14-12-20)15-18(19-17(23)24-6-2)7-9-22(10-8-18)16(3)4;1-5-19-10-12-20(13-11-19)14-17(18-16(22)23-4)6-8-21(9-7-17)15(2)3;1-12(2)17-9-7-15(6,8-10-17)16-13(18)11-14(3,4)5;1-10(2)15-8-6-13(3,7-9-15)14-12(16)11-4-5-11;1-9(2)17-6-4-11(3,5-7-17)16-10(18)8-12(13,14)15;1-5-11(15)13-12(4)6-8-14(9-7-12)10(2)3/h17H,7-16H2,1-6H3,(H,21,25);16-17H,6-15H2,1-5H3,(H,20,24);16-17H,6-15H2,1-5H3,(H,20,24);16H,5-15H2,1-4H3,(H,19,23);15H,5-14H2,1-4H3,(H,18,22);12H,7-11H2,1-6H3,(H,16,18);10-11H,4-9H2,1-3H3,(H,14,16);9H,4-8H2,1-3H3,(H,16,18);10H,5-9H2,1-4H3,(H,13,15)
InChIKeyTWRZXFFMKJXJHF-UHFFFAOYSA-N
MW2686.05 g/mol
LogP17.54
Rot. Bonds40

About tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide

tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 161007578) has the molecular formula C145H285F3N28O13 and a molecular weight of 2686.05 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID161007578
Molecular FormulaC145H285F3N28O13
Molecular Weight2686.05 g/mol
Exact Mass2684.25
IUPAC Nametert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(C)(NC(=O)C2CC2)CC1.CC(C)N1CCC(C)(NC(=O)CC(C)(C)C)CC1.CC(C)N1CCC(C)(NC(=O)CC(F)(F)F)CC1.CCC(=O)NC1(C)CCN(C(C)C)CC1.CCN1CCN(CC2(NC(=O)C(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OC(C)(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OC)CCN(C(C)C)CC2)CC1.CCOC(=O)NC1(CN2CCN(CC)CC2)CCN(C(C)C)CC1
InChIInChI=1S/C20H40N4O2.C19H38N4O2.C19H38N4O.C18H36N4O2.C17H34N4O2.C15H30N2O.C13H24N2O.C12H21F3N2O.C12H24N2O/c1-7-22-12-14-23(15-13-22)16-20(21-18(25)26-19(4,5)6)8-10-24(11-9-20)17(2)3;1-6-21-11-13-22(14-12-21)15-19(20-18(24)25-17(4)5)7-9-23(10-8-19)16(2)3;1-6-21-11-13-22(14-12-21)15-19(20-18(24)16(2)3)7-9-23(10-8-19)17(4)5;1-5-20-11-13-21(14-12-20)15-18(19-17(23)24-6-2)7-9-22(10-8-18)16(3)4;1-5-19-10-12-20(13-11-19)14-17(18-16(22)23-4)6-8-21(9-7-17)15(2)3;1-12(2)17-9-7-15(6,8-10-17)16-13(18)11-14(3,4)5;1-10(2)15-8-6-13(3,7-9-15)14-12(16)11-4-5-11;1-9(2)17-6-4-11(3,5-7-17)16-10(18)8-12(13,14)15;1-5-11(15)13-12(4)6-8-14(9-7-12)10(2)3/h17H,7-16H2,1-6H3,(H,21,25);16-17H,6-15H2,1-5H3,(H,20,24);16-17H,6-15H2,1-5H3,(H,20,24);16H,5-15H2,1-4H3,(H,19,23);15H,5-14H2,1-4H3,(H,18,22);12H,7-11H2,1-6H3,(H,16,18);10-11H,4-9H2,1-3H3,(H,14,16);9H,4-8H2,1-3H3,(H,16,18);10H,5-9H2,1-4H3,(H,13,15)
InChIKeyTWRZXFFMKJXJHF-UHFFFAOYSA-N
XLogP17.54
TPSA360.38 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002686.05
LogP ≤ 517.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
CID 160120205
2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
CID 167699783
cyclopropylmethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 157605556
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;cyclopropylmethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;2-methylpropyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 158598556
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 161220010

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide (CID 161007578) is tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide is CC(C)N1CCC(C)(NC(=O)C2CC2)CC1.CC(C)N1CCC(C)(NC(=O)CC(C)(C)C)CC1.CC(C)N1CCC(C)(NC(=O)CC(F)(F)F)CC1.CCC(=O)NC1(C)CCN(C(C)C)CC1.CCN1CCN(CC2(NC(=O)C(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OC(C)(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OC)CCN(C(C)C)CC2)CC1.CCOC(=O)NC1(CN2CCN(CC)CC2)CCN(C(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is TWRZXFFMKJXJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2.C19H38N4O2.C19H38N4O.C18H36N4O2.C17H34N4O2.C15H30N2O.C13H24N2O.C12H21F3N2O.C12H24N2O/c1-7-22-12-14-23(15-13-22)16-20(21-18(25)26-19(4,5)6)8-10-24(11-9-20)17(2)3;1-6-21-11-13-22(14-12-21)15-19(20-18(24)25-17(4)5)7-9-23(10-8-19)16(2)3;1-6-21-11-13-22(14-12-21)15-19(20-18(24)16(2)3)7-9-23(10-8-19)17(4)5;1-5-20-11-13-21(14-12-20)15-18(19-17(23)24-6-2)7-9-22(10-8-18)16(3)4;1-5-19-10-12-20(13-11-19)14-17(18-16(22)23-4)6-8-21(9-7-17)15(2)3;1-12(2)17-9-7-15(6,8-10-17)16-13(18)11-14(3,4)5;1-10(2)15-8-6-13(3,7-9-15)14-12(16)11-4-5-11;1-9(2)17-6-4-11(3,5-7-17)16-10(18)8-12(13,14)15;1-5-11(15)13-12(4)6-8-14(9-7-12)10(2)3/h17H,7-16H2,1-6H3,(H,21,25);16-17H,6-15H2,1-5H3,(H,20,24);16-17H,6-15H2,1-5H3,(H,20,24);16H,5-15H2,1-4H3,(H,19,23);15H,5-14H2,1-4H3,(H,18,22);12H,7-11H2,1-6H3,(H,16,18);10-11H,4-9H2,1-3H3,(H,14,16);9H,4-8H2,1-3H3,(H,16,18);10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide?
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 2686.05 g/mol, XLogP of 17.54, 40 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 161007578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).