3-(4-hydroxypiperidine-1-carbonyl)benzonitrile

C13H14N2O2 — CID 24690177

IUPAC3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H14N2O2/c14-9-10-2-1-3-11(8-10)13(17)15-6-4-12(16)5-7-15/h1-3,8,12,16H,4-7H2
InChIKeyIAFGAZSHFLLSTH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.16
Rot. Bonds1

About 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile

3-(4-hydroxypiperidine-1-carbonyl)benzonitrile (PubChem CID 24690177) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
PubChem CID24690177
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H14N2O2/c14-9-10-2-1-3-11(8-10)13(17)15-6-4-12(16)5-7-15/h1-3,8,12,16H,4-7H2
InChIKeyIAFGAZSHFLLSTH-UHFFFAOYSA-N
XLogP1.16
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 110797001
4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 111425141
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile
CID 63515337
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile
CID 63762536
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
3-(4-propanoylpiperazine-1-carbonyl)benzonitrile
CID 110817109
3-[(7R)-1,1-dioxo-7-phenyl-1,4-thiazepane-4-carbonyl]benzonitrile
CID 129357071
N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 33161452
3-[4-[4-(dimethylamino)benzoyl]piperazine-1-carbonyl]benzonitrile
CID 110365202

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile?
The IUPAC name of 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile (CID 24690177) is 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile.
What is the SMILES notation for 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile?
The canonical SMILES for 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2CCC(O)CC2)c1.
What is the InChIKey of 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile?
The InChIKey is IAFGAZSHFLLSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-9-10-2-1-3-11(8-10)13(17)15-6-4-12(16)5-7-15/h1-3,8,12,16H,4-7H2.
What are the key properties of 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile?
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidine-1-carbonyl)benzonitrile is sourced from PubChem (CID 24690177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).