N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide

C17H17F2N3O — CID 2893801

IUPACN-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCCCC1c1cccnc1
InChIInChI=1S/C17H17F2N3O/c18-13-6-7-15(14(19)10-13)21-17(23)22-9-2-1-5-16(22)12-4-3-8-20-11-12/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,21,23)
InChIKeyFPIAKZZBWRIKMY-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.12
Rot. Bonds2

About N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide

N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 2893801) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID2893801
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCCCC1c1cccnc1
InChIInChI=1S/C17H17F2N3O/c18-13-6-7-15(14(19)10-13)21-17(23)22-9-2-1-5-16(22)12-4-3-8-20-11-12/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,21,23)
InChIKeyFPIAKZZBWRIKMY-UHFFFAOYSA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide (CID 2893801) is N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCCCC1c1cccnc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is FPIAKZZBWRIKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c18-13-6-7-15(14(19)10-13)21-17(23)22-9-2-1-5-16(22)12-4-3-8-20-11-12/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 2893801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).