N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide

C14H17N3O2 — CID 103896286

IUPACN-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc(C#N)c2)CC1O
InChIInChI=1S/C14H17N3O2/c1-10-5-6-17(9-13(10)18)14(19)16-12-4-2-3-11(7-12)8-15/h2-4,7,10,13,18H,5-6,9H2,1H3,(H,16,19)
InChIKeyWHVAVCCOQJORMI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.79
Rot. Bonds1

About N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide

N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide (PubChem CID 103896286) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
PubChem CID103896286
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc(C#N)c2)CC1O
InChIInChI=1S/C14H17N3O2/c1-10-5-6-17(9-13(10)18)14(19)16-12-4-2-3-11(7-12)8-15/h2-4,7,10,13,18H,5-6,9H2,1H3,(H,16,19)
InChIKeyWHVAVCCOQJORMI-UHFFFAOYSA-N
XLogP1.79
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
N-(3-cyanophenyl)-5-hydroxy-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 123772009
(3R,4R)-N-(3-cyanophenyl)-3-(dimethylamino)-4-methylsulfanylpyrrolidine-1-carboxamide
CID 97328470
N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide
CID 75423322
N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide
CID 56791127
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952404
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide (CID 103896286) is N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cccc(C#N)c2)CC1O.
What is the InChIKey of N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide?
The InChIKey is WHVAVCCOQJORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-5-6-17(9-13(10)18)14(19)16-12-4-2-3-11(7-12)8-15/h2-4,7,10,13,18H,5-6,9H2,1H3,(H,16,19).
What are the key properties of N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide?
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 103896286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).