N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide

C12H15ClN2O2 — CID 79155981

IUPACN-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)N1CCCCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-5-4-9(8-11(10)16)14-12(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7H2,(H,14,17)
InChIKeyPPQSELZMXYDVNA-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.06
Rot. Bonds1

About N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide

N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide (PubChem CID 79155981) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide
PubChem CID79155981
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)N1CCCCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-5-4-9(8-11(10)16)14-12(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7H2,(H,14,17)
InChIKeyPPQSELZMXYDVNA-UHFFFAOYSA-N
XLogP3.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-chlorophenyl)azepane-1-carboxamide
CID 79152618
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 61189115
4-(azepane-1-carbonylamino)-2-chlorobenzenesulfonyl chloride
CID 2756575
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
2-chloro-5-(1,4-thiazepane-4-carbonylamino)benzoic acid
CID 61423625
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
2-chloro-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193508
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
2-bromo-5-(piperidine-1-carbonylamino)benzoic acid
CID 115295940

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide (CID 79155981) is N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(O)c1)N1CCCCC1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide?
The InChIKey is PPQSELZMXYDVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-5-4-9(8-11(10)16)14-12(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7H2,(H,14,17).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide?
N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 79155981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).