N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide

C12H14ClFN2O2 — CID 47032178

IUPACN-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)N1CCCC(O)C1
InChIInChI=1S/C12H14ClFN2O2/c13-8-3-4-11(10(14)6-8)15-12(18)16-5-1-2-9(17)7-16/h3-4,6,9,17H,1-2,5,7H2,(H,15,18)
InChIKeyRLCGQMKBHXAIKF-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.47
Rot. Bonds1

About N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide

N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 47032178) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID47032178
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)N1CCCC(O)C1
InChIInChI=1S/C12H14ClFN2O2/c13-8-3-4-11(10(14)6-8)15-12(18)16-5-1-2-9(17)7-16/h3-4,6,9,17H,1-2,5,7H2,(H,15,18)
InChIKeyRLCGQMKBHXAIKF-UHFFFAOYSA-N
XLogP2.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439185
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
(3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111474822
3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61435039
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
N-[2-fluoro-5-(furan-2-yl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 111475551
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide (CID 47032178) is N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1F)N1CCCC(O)C1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is RLCGQMKBHXAIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c13-8-3-4-11(10(14)6-8)15-12(18)16-5-1-2-9(17)7-16/h3-4,6,9,17H,1-2,5,7H2,(H,15,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide?
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 272.71 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 47032178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).