(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C20H23N3O2 — CID 9071786

IUPAC(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-9-11-18(12-10-15)21-19(24)16-6-5-13-23(14-16)20(25)22-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyNRRDOKDONMEJMJ-INIZCTEOSA-N
MW337.42 g/mol
LogP3.88
Rot. Bonds3

About (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 9071786) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID9071786
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-9-11-18(12-10-15)21-19(24)16-6-5-13-23(14-16)20(25)22-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyNRRDOKDONMEJMJ-INIZCTEOSA-N
XLogP3.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 9071786) is (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is NRRDOKDONMEJMJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-9-11-18(12-10-15)21-19(24)16-6-5-13-23(14-16)20(25)22-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 9071786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).