(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C21H25N3O2 — CID 7206111

IUPAC(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1C
InChIInChI=1S/C21H25N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h3-6,8,10-12,17H,7,9,13-14H2,1-2H3,(H,22,26)(H,23,25)/t17-/m0/s1
InChIKeyNXQNGJCHNZULJU-KRWDZBQOSA-N
MW351.45 g/mol
LogP4.19
Rot. Bonds3

About (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 7206111) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID7206111
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1C
InChIInChI=1S/C21H25N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h3-6,8,10-12,17H,7,9,13-14H2,1-2H3,(H,22,26)(H,23,25)/t17-/m0/s1
InChIKeyNXQNGJCHNZULJU-KRWDZBQOSA-N
XLogP4.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119422273
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55444689
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 50804284
(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
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 7206111) is (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1C.
What is the InChIKey of (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is NXQNGJCHNZULJU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h3-6,8,10-12,17H,7,9,13-14H2,1-2H3,(H,22,26)(H,23,25)/t17-/m0/s1.
What are the key properties of (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 7206111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).