N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate

C112H211F6N19O15 — CID 162166184

IUPACN-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)C(C)C(=O)NC1CCN(C(C)C)CC1O.CC(C)CC(=O)NC1CCN(C(C)C)CC1O.CC(C)CC(=O)NC1CN(C(C)C)CC1N.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CCC2)C(O)C1.CC(C)N1CCC(NC(=O)C2(C)CCC2)C(O)C1.CC(C)OC(=O)NC1CCN(C(C)C)CC1O.CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H38N4O.C14H23F3N2O2.C14H26N2O2.C14H28N2O2.C13H21F3N2O2.C13H26N2O2.C12H25N3O.C12H24N2O3/c1-4-22-11-13-23(14-12-22)16-20(21-19(25)15-18-5-6-18)7-9-24(10-8-20)17(2)3;1-9(2)19-7-4-10(11(20)8-19)18-12(21)13(5-3-6-13)14(15,16)17;1-10(2)16-8-5-11(12(17)9-16)15-13(18)14(3)6-4-7-14;1-9(2)11(5)14(18)15-12-6-7-16(10(3)4)8-13(12)17;1-8(2)18-6-3-9(10(19)7-18)17-11(20)12(4-5-12)13(14,15)16;1-9(2)7-13(17)14-11-5-6-15(10(3)4)8-12(11)16;1-8(2)5-12(16)14-11-7-15(9(3)4)6-10(11)13;1-8(2)14-6-5-10(11(15)7-14)13-12(16)17-9(3)4/h17-18H,4-16H2,1-3H3,(H,21,25);9-11,20H,3-8H2,1-2H3,(H,18,21);10-12,17H,4-9H2,1-3H3,(H,15,18);9-13,17H,6-8H2,1-5H3,(H,15,18);8-10,19H,3-7H2,1-2H3,(H,17,20);9-12,16H,5-8H2,1-4H3,(H,14,17);8-11H,5-7,13H2,1-4H3,(H,14,16);8-11,15H,5-7H2,1-4H3,(H,13,16)
InChIKeyZNDVIZPDIPQCEC-UHFFFAOYSA-N
MW2178.03 g/mol
LogP9.65
Rot. Bonds31

About N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate

N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 162166184) has the molecular formula C112H211F6N19O15 and a molecular weight of 2178.03 g/mol. Its IUPAC name is N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound NameN-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate
PubChem CID162166184
Molecular FormulaC112H211F6N19O15
Molecular Weight2178.03 g/mol
Exact Mass2176.62
IUPAC NameN-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)C(C)C(=O)NC1CCN(C(C)C)CC1O.CC(C)CC(=O)NC1CCN(C(C)C)CC1O.CC(C)CC(=O)NC1CN(C(C)C)CC1N.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CCC2)C(O)C1.CC(C)N1CCC(NC(=O)C2(C)CCC2)C(O)C1.CC(C)OC(=O)NC1CCN(C(C)C)CC1O.CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H38N4O.C14H23F3N2O2.C14H26N2O2.C14H28N2O2.C13H21F3N2O2.C13H26N2O2.C12H25N3O.C12H24N2O3/c1-4-22-11-13-23(14-12-22)16-20(21-19(25)15-18-5-6-18)7-9-24(10-8-20)17(2)3;1-9(2)19-7-4-10(11(20)8-19)18-12(21)13(5-3-6-13)14(15,16)17;1-10(2)16-8-5-11(12(17)9-16)15-13(18)14(3)6-4-7-14;1-9(2)11(5)14(18)15-12-6-7-16(10(3)4)8-13(12)17;1-8(2)18-6-3-9(10(19)7-18)17-11(20)12(4-5-12)13(14,15)16;1-9(2)7-13(17)14-11-5-6-15(10(3)4)8-12(11)16;1-8(2)5-12(16)14-11-7-15(9(3)4)6-10(11)13;1-8(2)14-6-5-10(11(15)7-14)13-12(16)17-9(3)4/h17-18H,4-16H2,1-3H3,(H,21,25);9-11,20H,3-8H2,1-2H3,(H,18,21);10-12,17H,4-9H2,1-3H3,(H,15,18);9-13,17H,6-8H2,1-5H3,(H,15,18);8-10,19H,3-7H2,1-2H3,(H,17,20);9-12,16H,5-8H2,1-4H3,(H,14,17);8-11H,5-7,13H2,1-4H3,(H,14,16);8-11,15H,5-7H2,1-4H3,(H,13,16)
InChIKeyZNDVIZPDIPQCEC-UHFFFAOYSA-N
XLogP9.65
TPSA421.83 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002178.03
LogP ≤ 59.65
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Analyze N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate?
The IUPAC name of N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate (CID 162166184) is N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate?
The canonical SMILES for N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate is CC(C)C(C)C(=O)NC1CCN(C(C)C)CC1O.CC(C)CC(=O)NC1CCN(C(C)C)CC1O.CC(C)CC(=O)NC1CN(C(C)C)CC1N.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CCC2)C(O)C1.CC(C)N1CCC(NC(=O)C2(C)CCC2)C(O)C1.CC(C)OC(=O)NC1CCN(C(C)C)CC1O.CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C(C)C)CC2)CC1.
What is the InChIKey of N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate?
The InChIKey is ZNDVIZPDIPQCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O.C14H23F3N2O2.C14H26N2O2.C14H28N2O2.C13H21F3N2O2.C13H26N2O2.C12H25N3O.C12H24N2O3/c1-4-22-11-13-23(14-12-22)16-20(21-19(25)15-18-5-6-18)7-9-24(10-8-20)17(2)3;1-9(2)19-7-4-10(11(20)8-19)18-12(21)13(5-3-6-13)14(15,16)17;1-10(2)16-8-5-11(12(17)9-16)15-13(18)14(3)6-4-7-14;1-9(2)11(5)14(18)15-12-6-7-16(10(3)4)8-13(12)17;1-8(2)18-6-3-9(10(19)7-18)17-11(20)12(4-5-12)13(14,15)16;1-9(2)7-13(17)14-11-5-6-15(10(3)4)8-12(11)16;1-8(2)5-12(16)14-11-7-15(9(3)4)6-10(11)13;1-8(2)14-6-5-10(11(15)7-14)13-12(16)17-9(3)4/h17-18H,4-16H2,1-3H3,(H,21,25);9-11,20H,3-8H2,1-2H3,(H,18,21);10-12,17H,4-9H2,1-3H3,(H,15,18);9-13,17H,6-8H2,1-5H3,(H,15,18);8-10,19H,3-7H2,1-2H3,(H,17,20);9-12,16H,5-8H2,1-4H3,(H,14,17);8-11H,5-7,13H2,1-4H3,(H,14,16);8-11,15H,5-7H2,1-4H3,(H,13,16).
What are the key properties of N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate?
N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 2178.03 g/mol, XLogP of 9.65, 31 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 162166184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).