(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide

C14H19FN2O — CID 75495928

IUPAC(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-10(11-5-7-12(15)8-6-11)17-14(18)13-4-2-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-/m0/s1
InChIKeyKXCWXLHYAVGBRG-HQVZTVAUSA-N
MW250.32 g/mol
LogP2.14
Rot. Bonds3

About (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide

(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide (PubChem CID 75495928) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
PubChem CID75495928
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-10(11-5-7-12(15)8-6-11)17-14(18)13-4-2-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-/m0/s1
InChIKeyKXCWXLHYAVGBRG-HQVZTVAUSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide (CID 75495928) is (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide is CC(NC(=O)[C@@H]1CCCCN1)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is KXCWXLHYAVGBRG-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(11-5-7-12(15)8-6-11)17-14(18)13-4-2-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-/m0/s1.
What are the key properties of (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide?
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 75495928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).