(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C21H24N4O3 — CID 9091528

IUPAC(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N4O3/c1-22-19(26)15-9-11-18(12-10-15)23-20(27)16-6-5-13-25(14-16)21(28)24-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t16-/m0/s1
InChIKeyDAXMWGHQVWGSCU-INIZCTEOSA-N
MW380.45 g/mol
LogP2.93
Rot. Bonds4

About (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide

(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 9091528) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID9091528
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N4O3/c1-22-19(26)15-9-11-18(12-10-15)23-20(27)16-6-5-13-25(14-16)21(28)24-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t16-/m0/s1
InChIKeyDAXMWGHQVWGSCU-INIZCTEOSA-N
XLogP2.93
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608
(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-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 8870757
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 9091528) is (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide is CNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is DAXMWGHQVWGSCU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-22-19(26)15-9-11-18(12-10-15)23-20(27)16-6-5-13-25(14-16)21(28)24-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t16-/m0/s1.
What are the key properties of (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 9091528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).