4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide

C13H16F2N2O — CID 106781724

IUPAC4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CC(Cc2c(F)cccc2F)CCN1
InChIInChI=1S/C13H16F2N2O/c14-10-2-1-3-11(15)9(10)6-8-4-5-17-12(7-8)13(16)18/h1-3,8,12,17H,4-7H2,(H2,16,18)
InChIKeyFLBLELGMMMMCDK-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.36
Rot. Bonds3

About 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide

4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 106781724) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide
PubChem CID106781724
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CC(Cc2c(F)cccc2F)CCN1
InChIInChI=1S/C13H16F2N2O/c14-10-2-1-3-11(15)9(10)6-8-4-5-17-12(7-8)13(16)18/h1-3,8,12,17H,4-7H2,(H2,16,18)
InChIKeyFLBLELGMMMMCDK-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 106778520
4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 106781147
4-(2,3-difluorophenyl)piperidine-2-carboxamide
CID 115502756
4-[(4-propan-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 106778616
N-ethyl-4-[(2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 106777776
4-(aminomethyl)piperidine-2-carboxamide
CID 19078890
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002
4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 106780314
[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
CID 14850749
(2S)-4-phenylpiperidine-2-carboxamide
CID 129163808
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433
4-ethyl-N-(3-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 114428836

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide (CID 106781724) is 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide is NC(=O)C1CC(Cc2c(F)cccc2F)CCN1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is FLBLELGMMMMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-10-2-1-3-11(15)9(10)6-8-4-5-17-12(7-8)13(16)18/h1-3,8,12,17H,4-7H2,(H2,16,18).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide?
4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 106781724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).