(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide

C21H31N3O2 — CID 95056824

IUPAC(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H](CCC(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C21H31N3O2/c1-17-7-10-19(11-8-17)22-21(26)24-15-5-6-18(16-24)9-12-20(25)23-13-3-2-4-14-23/h7-8,10-11,18H,2-6,9,12-16H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyWUVQVIIEMGUXOJ-GOSISDBHSA-N
MW357.50 g/mol
LogP4.03
Rot. Bonds4

About (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide

(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide (PubChem CID 95056824) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
PubChem CID95056824
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H](CCC(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C21H31N3O2/c1-17-7-10-19(11-8-17)22-21(26)24-15-5-6-18(16-24)9-12-20(25)23-13-3-2-4-14-23/h7-8,10-11,18H,2-6,9,12-16H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyWUVQVIIEMGUXOJ-GOSISDBHSA-N
XLogP4.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide 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

(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 95093847
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]piperidine-1-carboxamide
CID 95093850
(3S)-3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094105
(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95093800
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]piperidine-1-carboxamide
CID 95093828

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide (CID 95056824) is (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)N3CCCCC3)C2)cc1.
What is the InChIKey of (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
The InChIKey is WUVQVIIEMGUXOJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-17-7-10-19(11-8-17)22-21(26)24-15-5-6-18(16-24)9-12-20(25)23-13-3-2-4-14-23/h7-8,10-11,18H,2-6,9,12-16H2,1H3,(H,22,26)/t18-/m1/s1.
What are the key properties of (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 95056824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).