N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide

C27H28N2O2 — CID 126069157

IUPACN-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1C
InChIInChI=1S/C27H28N2O2/c1-19-7-6-10-25(20(19)2)28-26(30)23-15-17-29(18-16-23)27(31)24-13-11-22(12-14-24)21-8-4-3-5-9-21/h3-14,23H,15-18H2,1-2H3,(H,28,30)
InChIKeyAPNBDMJFZTWNQX-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.46
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide

N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide (PubChem CID 126069157) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
PubChem CID126069157
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1C
InChIInChI=1S/C27H28N2O2/c1-19-7-6-10-25(20(19)2)28-26(30)23-15-17-29(18-16-23)27(31)24-13-11-22(12-14-24)21-8-4-3-5-9-21/h3-14,23H,15-18H2,1-2H3,(H,28,30)
InChIKeyAPNBDMJFZTWNQX-UHFFFAOYSA-N
XLogP5.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 126069700
N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 59737223
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-benzoyl-N-(2-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 154737923
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 120568951
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 17223933
N-(2-ethyl-6-methylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006739
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841571
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide (CID 126069157) is N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The InChIKey is APNBDMJFZTWNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-19-7-6-10-25(20(19)2)28-26(30)23-15-17-29(18-16-23)27(31)24-13-11-22(12-14-24)21-8-4-3-5-9-21/h3-14,23H,15-18H2,1-2H3,(H,28,30).
What are the key properties of N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126069157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).