N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

C16H16F2N4O — CID 3222644

IUPACN-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H16F2N4O/c17-12-1-2-14(13(18)9-12)21-16(23)11-3-7-22(8-4-11)15-10-19-5-6-20-15/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23)
InChIKeyTWEORBZOEROZHO-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.61
Rot. Bonds3

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

N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 3222644) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID3222644
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H16F2N4O/c17-12-1-2-14(13(18)9-12)21-16(23)11-3-7-22(8-4-11)15-10-19-5-6-20-15/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23)
InChIKeyTWEORBZOEROZHO-UHFFFAOYSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631
N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519984
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601322
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 78892568
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47080331
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
N-(2,4-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364392
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 3222644) is N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is TWEORBZOEROZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c17-12-1-2-14(13(18)9-12)21-16(23)11-3-7-22(8-4-11)15-10-19-5-6-20-15/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3222644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).