N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide

C13H15N3O2 — CID 43428233

IUPACN-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C13H15N3O2/c14-8-10-3-1-4-11(7-10)15-13(18)16-6-2-5-12(17)9-16/h1,3-4,7,12,17H,2,5-6,9H2,(H,15,18)
InChIKeyMTJVYIGPXBRUDO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.55
Rot. Bonds1

About N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide

N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 43428233) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID43428233
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C13H15N3O2/c14-8-10-3-1-4-11(7-10)15-13(18)16-6-2-5-12(17)9-16/h1,3-4,7,12,17H,2,5-6,9H2,(H,15,18)
InChIKeyMTJVYIGPXBRUDO-UHFFFAOYSA-N
XLogP1.55
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide (CID 43428233) is N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide is N#Cc1cccc(NC(=O)N2CCCC(O)C2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is MTJVYIGPXBRUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-10-3-1-4-11(7-10)15-13(18)16-6-2-5-12(17)9-16/h1,3-4,7,12,17H,2,5-6,9H2,(H,15,18).
What are the key properties of N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide?
N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.55, 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-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 43428233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).