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

C148H294N30O14 — CID 158598556

IUPACtert-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
SMILESCC(C)N1CCC(C)(NC(=O)CC(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.CCN1CCN(CC2(NC(=O)OCC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OCC3CC3)CCN(C(C)C)CC2)CC1.CCOC(=O)NC1(CN2CCN(CC)CC2)CCN(C(C)C)CC1
InChIInChI=1S/C20H38N4O2.2C20H40N4O2.C19H38N4O2.C19H38N4O.C18H36N4O2.C17H34N4O2.C15H30N2O/c1-4-22-11-13-23(14-12-22)16-20(7-9-24(10-8-20)17(2)3)21-19(25)26-15-18-5-6-18;1-7-22-12-14-23(15-13-22)16-20(21-18(25)26-19(4,5)6)8-10-24(11-9-20)17(2)3;1-6-22-11-13-23(14-12-22)16-20(21-19(25)26-15-17(2)3)7-9-24(10-8-20)18(4)5;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/h17-18H,4-16H2,1-3H3,(H,21,25);17H,7-16H2,1-6H3,(H,21,25);17-18H,6-16H2,1-5H3,(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)
InChIKeyHVIJNPPZPWYFDG-UHFFFAOYSA-N
MW2718.18 g/mol
LogP15.92
Rot. Bonds45

About 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

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 (PubChem CID 158598556) has the molecular formula C148H294N30O14 and a molecular weight of 2718.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158598556
Molecular FormulaC148H294N30O14
Molecular Weight2718.18 g/mol
Exact Mass2716.32
IUPAC Nametert-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
SMILESCC(C)N1CCC(C)(NC(=O)CC(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.CCN1CCN(CC2(NC(=O)OCC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OCC3CC3)CCN(C(C)C)CC2)CC1.CCOC(=O)NC1(CN2CCN(CC)CC2)CCN(C(C)C)CC1
InChIInChI=1S/C20H38N4O2.2C20H40N4O2.C19H38N4O2.C19H38N4O.C18H36N4O2.C17H34N4O2.C15H30N2O/c1-4-22-11-13-23(14-12-22)16-20(7-9-24(10-8-20)17(2)3)21-19(25)26-15-18-5-6-18;1-7-22-12-14-23(15-13-22)16-20(21-18(25)26-19(4,5)6)8-10-24(11-9-20)17(2)3;1-6-22-11-13-23(14-12-22)16-20(21-19(25)26-15-17(2)3)7-9-24(10-8-20)18(4)5;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/h17-18H,4-16H2,1-3H3,(H,21,25);17H,7-16H2,1-6H3,(H,21,25);17-18H,6-16H2,1-5H3,(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)
InChIKeyHVIJNPPZPWYFDG-UHFFFAOYSA-N
XLogP15.92
TPSA359.46 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds45
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002718.18
LogP ≤ 515.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

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;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 with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505512
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 134505524
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide
CID 134505539
cyclobutyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;cyclopropylmethyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]acetamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;ethyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;oxolan-3-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate
CID 161098362
tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
CID 135177659
chloromethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-4-carboxylate
CID 165440847
tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide
CID 158601077
cyclopropylmethyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142327053
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 167536769
tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate
CID 134515075
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane
CID 142326806
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241

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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCC(C)(NC(=O)CC(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.CCN1CCN(CC2(NC(=O)OCC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)OCC3CC3)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;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?
The InChIKey is HVIJNPPZPWYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2.2C20H40N4O2.C19H38N4O2.C19H38N4O.C18H36N4O2.C17H34N4O2.C15H30N2O/c1-4-22-11-13-23(14-12-22)16-20(7-9-24(10-8-20)17(2)3)21-19(25)26-15-18-5-6-18;1-7-22-12-14-23(15-13-22)16-20(21-18(25)26-19(4,5)6)8-10-24(11-9-20)17(2)3;1-6-22-11-13-23(14-12-22)16-20(21-19(25)26-15-17(2)3)7-9-24(10-8-20)18(4)5;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/h17-18H,4-16H2,1-3H3,(H,21,25);17H,7-16H2,1-6H3,(H,21,25);17-18H,6-16H2,1-5H3,(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).
What are the key properties of 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?
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 has a molecular weight of 2718.18 g/mol, XLogP of 15.92, 45 rotatable bonds, 8 hydrogen bond donors, and 36 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;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 is sourced from PubChem (CID 158598556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).