N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide

C24H20ClF2N3O2 — CID 121317970

IUPACN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cccnc3)c2)CC(F)(F)C1
InChIInChI=1S/C24H20ClF2N3O2/c25-20-6-8-21(9-7-20)29-22(31)19-12-24(26,27)15-30(14-19)23(32)17-4-1-3-16(11-17)18-5-2-10-28-13-18/h1-11,13,19H,12,14-15H2,(H,29,31)
InChIKeyJESDHZBAAFCVCU-UHFFFAOYSA-N
MW455.89 g/mol
LogP5.14
Rot. Bonds4

About N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide

N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide (PubChem CID 121317970) has the molecular formula C24H20ClF2N3O2 and a molecular weight of 455.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide
PubChem CID121317970
Molecular FormulaC24H20ClF2N3O2
Molecular Weight455.89 g/mol
Exact Mass455.12
IUPAC NameN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cccnc3)c2)CC(F)(F)C1
InChIInChI=1S/C24H20ClF2N3O2/c25-20-6-8-21(9-7-20)29-22(31)19-12-24(26,27)15-30(14-19)23(32)17-4-1-3-16(11-17)18-5-2-10-28-13-18/h1-11,13,19H,12,14-15H2,(H,29,31)
InChIKeyJESDHZBAAFCVCU-UHFFFAOYSA-N
XLogP5.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.89
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide (CID 121317970) is N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cccnc3)c2)CC(F)(F)C1.
What is the InChIKey of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide?
The InChIKey is JESDHZBAAFCVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2/c25-20-6-8-21(9-7-20)29-22(31)19-12-24(26,27)15-30(14-19)23(32)17-4-1-3-16(11-17)18-5-2-10-28-13-18/h1-11,13,19H,12,14-15H2,(H,29,31).
What are the key properties of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide?
N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide has a molecular weight of 455.89 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 121317970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).