N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide

C13H16F2N2O — CID 63795889

IUPACN-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1CCCCN1
InChIInChI=1S/C13H16F2N2O/c14-10-4-5-11(15)9(7-10)8-17-13(18)12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8H2,(H,17,18)
InChIKeyVZVMYGSYNJPQPX-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.72
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide

N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 63795889) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
PubChem CID63795889
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1CCCCN1
InChIInChI=1S/C13H16F2N2O/c14-10-4-5-11(15)9(7-10)8-17-13(18)12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8H2,(H,17,18)
InChIKeyVZVMYGSYNJPQPX-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377
N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119892449
N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide
CID 63794479
cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-2-carboxamide
CID 119299543
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide (CID 63795889) is N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide is O=C(NCc1cc(F)ccc1F)C1CCCCN1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is VZVMYGSYNJPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-10-4-5-11(15)9(7-10)8-17-13(18)12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8H2,(H,17,18).
What are the key properties of N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide?
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 63795889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).