1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide

C25H21Cl3N2O2 — CID 126069700

IUPAC1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H21Cl3N2O2/c26-20-14-22(28)23(15-21(20)27)29-24(31)18-10-12-30(13-11-18)25(32)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,14-15,18H,10-13H2,(H,29,31)
InChIKeyKMHFNWVPYWWOKL-UHFFFAOYSA-N
MW487.81 g/mol
LogP6.80
Rot. Bonds4

About 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide

1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide (PubChem CID 126069700) has the molecular formula C25H21Cl3N2O2 and a molecular weight of 487.81 g/mol. Its IUPAC name is 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
PubChem CID126069700
Molecular FormulaC25H21Cl3N2O2
Molecular Weight487.81 g/mol
Exact Mass486.07
IUPAC Name1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H21Cl3N2O2/c26-20-14-22(28)23(15-21(20)27)29-24(31)18-10-12-30(13-11-18)25(32)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,14-15,18H,10-13H2,(H,29,31)
InChIKeyKMHFNWVPYWWOKL-UHFFFAOYSA-N
XLogP6.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.81
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 59737223
N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126069157
1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17152279
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
1-(2,2-dimethylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17224280
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide (CID 126069700) is 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The InChIKey is KMHFNWVPYWWOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl3N2O2/c26-20-14-22(28)23(15-21(20)27)29-24(31)18-10-12-30(13-11-18)25(32)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,14-15,18H,10-13H2,(H,29,31).
What are the key properties of 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide has a molecular weight of 487.81 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 126069700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).