(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide

C24H31N3O2 — CID 95093939

IUPAC(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18-8-6-12-22(16-18)26-24(29)27-15-7-9-20(17-27)13-14-23(28)25-19(2)21-10-4-3-5-11-21/h3-6,8,10-12,16,19-20H,7,9,13-15,17H2,1-2H3,(H,25,28)(H,26,29)/t19-,20+/m0/s1
InChIKeySVLRRMDAYWKELV-VQTJNVASSA-N
MW393.53 g/mol
LogP4.90
Rot. Bonds6

About (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide

(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide (PubChem CID 95093939) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
PubChem CID95093939
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18-8-6-12-22(16-18)26-24(29)27-15-7-9-20(17-27)13-14-23(28)25-19(2)21-10-4-3-5-11-21/h3-6,8,10-12,16,19-20H,7,9,13-15,17H2,1-2H3,(H,25,28)(H,26,29)/t19-,20+/m0/s1
InChIKeySVLRRMDAYWKELV-VQTJNVASSA-N
XLogP4.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094000
(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094139
N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
CID 53138083
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 95093947
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
CID 52998819
N-(3-methylphenyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide
CID 90505574
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
CID 110923971
(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 95094005

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide (CID 95093939) is (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)c1.
What is the InChIKey of (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
The InChIKey is SVLRRMDAYWKELV-VQTJNVASSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-8-6-12-22(16-18)26-24(29)27-15-7-9-20(17-27)13-14-23(28)25-19(2)21-10-4-3-5-11-21/h3-6,8,10-12,16,19-20H,7,9,13-15,17H2,1-2H3,(H,25,28)(H,26,29)/t19-,20+/m0/s1.
What are the key properties of (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide is sourced from PubChem (CID 95093939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).