N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide

C13H17FN2O — CID 11615609

IUPACN-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCCN1
InChIInChI=1S/C13H17FN2O/c14-11-6-4-10(5-7-11)9-16-13(17)12-3-1-2-8-15-12/h4-7,12,15H,1-3,8-9H2,(H,16,17)
InChIKeyUAFCJOXCQNMXMP-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.58
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide

N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 11615609) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
PubChem CID11615609
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCCN1
InChIInChI=1S/C13H17FN2O/c14-11-6-4-10(5-7-11)9-16-13(17)12-3-1-2-8-15-12/h4-7,12,15H,1-3,8-9H2,(H,16,17)
InChIKeyUAFCJOXCQNMXMP-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide (CID 11615609) is N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide is O=C(NCc1ccc(F)cc1)C1CCCCN1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is UAFCJOXCQNMXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-6-4-10(5-7-11)9-16-13(17)12-3-1-2-8-15-12/h4-7,12,15H,1-3,8-9H2,(H,16,17).
What are the key properties of N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 11615609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).