N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

C17H25FN2O — CID 119316064

IUPACN-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCCCN(Cc1ccccc1F)C(=O)C1CCCNC1
InChIInChI=1S/C17H25FN2O/c1-2-3-11-20(13-15-7-4-5-9-16(15)18)17(21)14-8-6-10-19-12-14/h4-5,7,9,14,19H,2-3,6,8,10-13H2,1H3
InChIKeyAKEGUNRIHPPFHP-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.95
Rot. Bonds6

About N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 119316064) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID119316064
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCCCN(Cc1ccccc1F)C(=O)C1CCCNC1
InChIInChI=1S/C17H25FN2O/c1-2-3-11-20(13-15-7-4-5-9-16(15)18)17(21)14-8-6-10-19-12-14/h4-5,7,9,14,19H,2-3,6,8,10-13H2,1H3
InChIKeyAKEGUNRIHPPFHP-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutylpiperidine-3-carboxamide;hydrochloride
CID 119262431
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide
CID 119688890
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 91774938
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N,N-diethylpiperidine-3-carboxamide
CID 18793

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 119316064) is N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is CCCCN(Cc1ccccc1F)C(=O)C1CCCNC1.
What is the InChIKey of N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is AKEGUNRIHPPFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-3-11-20(13-15-7-4-5-9-16(15)18)17(21)14-8-6-10-19-12-14/h4-5,7,9,14,19H,2-3,6,8,10-13H2,1H3.
What are the key properties of N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119316064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).