N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide

C31H48ClN5O3 — CID 11169116

IUPACN-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)C(=O)N(C1CCCCC1)C1CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)C(N)CC2CCNCC2)C1
InChIInChI=1S/C31H48ClN5O3/c1-21(2)30(39)37(25-6-4-3-5-7-25)26-14-17-36(20-26)31(40)28(19-22-8-10-24(32)11-9-22)35-29(38)27(33)18-23-12-15-34-16-13-23/h8-11,21,23,25-28,34H,3-7,12-20,33H2,1-2H3,(H,35,38)
InChIKeyZMOGCEFCWASNKW-UHFFFAOYSA-N
MW574.21 g/mol
LogP3.50
Rot. Bonds10

About N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide

N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide (PubChem CID 11169116) has the molecular formula C31H48ClN5O3 and a molecular weight of 574.21 g/mol. Its IUPAC name is N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide
PubChem CID11169116
Molecular FormulaC31H48ClN5O3
Molecular Weight574.21 g/mol
Exact Mass573.34
IUPAC NameN-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)C(=O)N(C1CCCCC1)C1CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)C(N)CC2CCNCC2)C1
InChIInChI=1S/C31H48ClN5O3/c1-21(2)30(39)37(25-6-4-3-5-7-25)26-14-17-36(20-26)31(40)28(19-22-8-10-24(32)11-9-22)35-29(38)27(33)18-23-12-15-34-16-13-23/h8-11,21,23,25-28,34H,3-7,12-20,33H2,1-2H3,(H,35,38)
InChIKeyZMOGCEFCWASNKW-UHFFFAOYSA-N
XLogP3.50
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.21
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide 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

N-[1-[3-(4-chlorophenyl)-2-[[2-(methylamino)acetyl]amino]propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide
CID 11753741
tert-butyl 3-[[(2R)-3-(4-chlorophenyl)-1-[(3S)-3-[cyclohexyl(2-methylpropanoyl)amino]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]azetidine-1-carboxylate
CID 142684831
N-[1-[2-(3-aminopropanoylamino)-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclopentyl-3-methylbutanamide
CID 23574990
N-[(3S)-1-[(2R)-2-(3-aminopropanoylamino)-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclopentyl-3-methylbutanamide
CID 58633936
N-[1-[3-[acetyl(cyclohexyl)amino]pyrrolidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-(dimethylamino)propanamide
CID 23575029
N-[(3S)-1-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]amino]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide
CID 69143452
(2R)-3-(4-chlorophenyl)-1-[4-[cyclohexyl-[2-[methoxy(methyl)amino]ethyl]amino]piperidin-1-yl]-2-(piperidin-4-ylamino)propan-1-one
CID 86614288
N-[(3S)-1-[(2R)-2-(3-aminopropanoylamino)-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclopentylfuran-2-carboxamide
CID 58633979
[(2R)-3-[[(3S)-1-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]pyrrolidin-3-yl]-cyclohexylamino]-2-methyl-3-oxopropyl] acetate
CID 67346306
3-amino-N-[(2R)-3-(4-chlorophenyl)-1-[(3S)-3-[cyclopentyl(methylsulfonyl)amino]pyrrolidin-1-yl]-1-oxopropan-2-yl]propanamide
CID 58633949
[3-[[(3S)-1-[2-amino-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-cyclohexylamino]-2,2-dimethyl-3-oxopropyl] acetate
CID 142684826
tert-butyl N-[1-[[(2R)-3-(4-chlorophenyl)-1-[[(3S)-3-[cyclohexyl(2-methylpropanoyl)amino]pyrrolidin-1-yl]amino]-1-oxopropan-2-yl]amino]propan-2-yl]carbamate
CID 67345562

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide?
The IUPAC name of N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide (CID 11169116) is N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide?
The canonical SMILES for N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide is CC(C)C(=O)N(C1CCCCC1)C1CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)C(N)CC2CCNCC2)C1.
What is the InChIKey of N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide?
The InChIKey is ZMOGCEFCWASNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48ClN5O3/c1-21(2)30(39)37(25-6-4-3-5-7-25)26-14-17-36(20-26)31(40)28(19-22-8-10-24(32)11-9-22)35-29(38)27(33)18-23-12-15-34-16-13-23/h8-11,21,23,25-28,34H,3-7,12-20,33H2,1-2H3,(H,35,38).
What are the key properties of N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide?
N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide has a molecular weight of 574.21 g/mol, XLogP of 3.50, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-amino-3-piperidin-4-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide is sourced from PubChem (CID 11169116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).