4-(2,3-difluorophenyl)piperidine-2-carboxamide

C12H14F2N2O — CID 115502756

IUPAC4-(2,3-difluorophenyl)piperidine-2-carboxamide
SMILESNC(=O)C1CC(c2cccc(F)c2F)CCN1
InChIInChI=1S/C12H14F2N2O/c13-9-3-1-2-8(11(9)14)7-4-5-16-10(6-7)12(15)17/h1-3,7,10,16H,4-6H2,(H2,15,17)
InChIKeyVCWKYOXKMDRNQG-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.29
Rot. Bonds2

About 4-(2,3-difluorophenyl)piperidine-2-carboxamide

4-(2,3-difluorophenyl)piperidine-2-carboxamide (PubChem CID 115502756) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)piperidine-2-carboxamide
PubChem CID115502756
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name4-(2,3-difluorophenyl)piperidine-2-carboxamide
SMILESNC(=O)C1CC(c2cccc(F)c2F)CCN1
InChIInChI=1S/C12H14F2N2O/c13-9-3-1-2-8(11(9)14)7-4-5-16-10(6-7)12(15)17/h1-3,7,10,16H,4-6H2,(H2,15,17)
InChIKeyVCWKYOXKMDRNQG-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-phenylpiperidine-2-carboxamide
CID 129163808
4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide
CID 106781724
4-(4-phenylphenyl)piperidine-2-carboxamide
CID 65455321
4-(furan-2-yl)piperidine-2-carboxamide
CID 65347712
(2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide
CID 172549826
4-(2,3-difluorophenyl)azepane
CID 83262443
4-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 106779071
(2S)-4-phenylpyrrolidine-2-carboxamide
CID 171062215
4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 106781147
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-(2,3-difluorophenyl)-2-methylpyrrolidine
CID 63667430
2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide
CID 143222297

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)piperidine-2-carboxamide?
The IUPAC name of 4-(2,3-difluorophenyl)piperidine-2-carboxamide (CID 115502756) is 4-(2,3-difluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-(2,3-difluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 4-(2,3-difluorophenyl)piperidine-2-carboxamide is NC(=O)C1CC(c2cccc(F)c2F)CCN1.
What is the InChIKey of 4-(2,3-difluorophenyl)piperidine-2-carboxamide?
The InChIKey is VCWKYOXKMDRNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-3-1-2-8(11(9)14)7-4-5-16-10(6-7)12(15)17/h1-3,7,10,16H,4-6H2,(H2,15,17).
What are the key properties of 4-(2,3-difluorophenyl)piperidine-2-carboxamide?
4-(2,3-difluorophenyl)piperidine-2-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 115502756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).