N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

C17H17ClFN3O — CID 46384761

IUPACN-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H17ClFN3O/c18-15-11-13(19)1-2-16(15)21-17(23)12-5-9-22(10-6-12)14-3-7-20-8-4-14/h1-4,7-8,11-12H,5-6,9-10H2,(H,21,23)
InChIKeyQVANDTKVYYYQEA-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.73
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384761) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384761
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC NameN-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H17ClFN3O/c18-15-11-13(19)1-2-16(15)21-17(23)12-5-9-22(10-6-12)14-3-7-20-8-4-14/h1-4,7-8,11-12H,5-6,9-10H2,(H,21,23)
InChIKeyQVANDTKVYYYQEA-UHFFFAOYSA-N
XLogP3.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384761) is N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is QVANDTKVYYYQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c18-15-11-13(19)1-2-16(15)21-17(23)12-5-9-22(10-6-12)14-3-7-20-8-4-14/h1-4,7-8,11-12H,5-6,9-10H2,(H,21,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 333.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).