(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide

C14H18F2N2O — CID 103808929

IUPAC(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCCN1)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O/c1-9(11-8-10(15)5-6-12(11)16)18-14(19)13-4-2-3-7-17-13/h5-6,8-9,13,17H,2-4,7H2,1H3,(H,18,19)/t9?,13-/m1/s1
InChIKeyXVTNCKBLUXLPMI-WCRCJTMVSA-N
MW268.31 g/mol
LogP2.28
Rot. Bonds3

About (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide

(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide (PubChem CID 103808929) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
PubChem CID103808929
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCCN1)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O/c1-9(11-8-10(15)5-6-12(11)16)18-14(19)13-4-2-3-7-17-13/h5-6,8-9,13,17H,2-4,7H2,1H3,(H,18,19)/t9?,13-/m1/s1
InChIKeyXVTNCKBLUXLPMI-WCRCJTMVSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292600
N-[1-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 54862061
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
(2R)-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 103808925
N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide (CID 103808929) is (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide is CC(NC(=O)[C@H]1CCCCN1)c1cc(F)ccc1F.
What is the InChIKey of (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is XVTNCKBLUXLPMI-WCRCJTMVSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9(11-8-10(15)5-6-12(11)16)18-14(19)13-4-2-3-7-17-13/h5-6,8-9,13,17H,2-4,7H2,1H3,(H,18,19)/t9?,13-/m1/s1.
What are the key properties of (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide?
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 103808929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).