(3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide

C24H35N3O2 — CID 95093805

IUPAC(3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCCC3=CCCCC3)C2)cc1
InChIInChI=1S/C24H35N3O2/c1-19-9-12-22(13-10-19)26-24(29)27-17-5-8-21(18-27)11-14-23(28)25-16-15-20-6-3-2-4-7-20/h6,9-10,12-13,21H,2-5,7-8,11,14-18H2,1H3,(H,25,28)(H,26,29)/t21-/m1/s1
InChIKeyUQIMYUPRIKDQPZ-OAQYLSRUSA-N
MW397.56 g/mol
LogP5.03
Rot. Bonds7

About (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide

(3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 95093805) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID95093805
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name(3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCCC3=CCCCC3)C2)cc1
InChIInChI=1S/C24H35N3O2/c1-19-9-12-22(13-10-19)26-24(29)27-17-5-8-21(18-27)11-14-23(28)25-16-15-20-6-3-2-4-7-20/h6,9-10,12-13,21H,2-5,7-8,11,14-18H2,1H3,(H,25,28)(H,26,29)/t21-/m1/s1
InChIKeyUQIMYUPRIKDQPZ-OAQYLSRUSA-N
XLogP5.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-N-(4-methylphenyl)-3-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]piperidine-1-carboxamide
CID 95093850
(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
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 644827
3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]piperidine-1-carboxamide
CID 95093828
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046
(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 95093847
3-[1-[2-(cyclopenten-1-yl)ethylcarbamoyl]pyrrolidin-3-yl]propanoic acid
CID 106178480
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 95093805) is (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCCC3=CCCCC3)C2)cc1.
What is the InChIKey of (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is UQIMYUPRIKDQPZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-19-9-12-22(13-10-19)26-24(29)27-17-5-8-21(18-27)11-14-23(28)25-16-15-20-6-3-2-4-7-20/h6,9-10,12-13,21H,2-5,7-8,11,14-18H2,1H3,(H,25,28)(H,26,29)/t21-/m1/s1.
What are the key properties of (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
(3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95093805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).