N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide

C13H18N2O2 — CID 110471905

IUPACN-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(O)c1)C1CCCNC1
InChIInChI=1S/C13H18N2O2/c16-12-5-1-3-10(7-12)8-15-13(17)11-4-2-6-14-9-11/h1,3,5,7,11,14,16H,2,4,6,8-9H2,(H,15,17)
InChIKeyJKFWVDORXDQJBR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.01
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide

N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110471905) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID110471905
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(O)c1)C1CCCNC1
InChIInChI=1S/C13H18N2O2/c16-12-5-1-3-10(7-12)8-15-13(17)11-4-2-6-14-9-11/h1,3,5,7,11,14,16H,2,4,6,8-9H2,(H,15,17)
InChIKeyJKFWVDORXDQJBR-UHFFFAOYSA-N
XLogP1.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
CID 91518240
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 119312856
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide (CID 110471905) is N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide is O=C(NCc1cccc(O)c1)C1CCCNC1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JKFWVDORXDQJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-5-1-3-10(7-12)8-15-13(17)11-4-2-6-14-9-11/h1,3,5,7,11,14,16H,2,4,6,8-9H2,(H,15,17).
What are the key properties of N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide?
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110471905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).