N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride

C14H18ClN3O2 — CID 140694639

IUPACN-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NC2CCNCC2C#N)c1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-19-12-4-2-3-10(7-12)14(18)17-13-5-6-16-9-11(13)8-15;/h2-4,7,11,13,16H,5-6,9H2,1H3,(H,17,18);1H
InChIKeyALBPUFSBOMQJHA-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.35
Rot. Bonds3

About N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride

N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride (PubChem CID 140694639) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride
PubChem CID140694639
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NC2CCNCC2C#N)c1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-19-12-4-2-3-10(7-12)14(18)17-13-5-6-16-9-11(13)8-15;/h2-4,7,11,13,16H,5-6,9H2,1H3,(H,17,18);1H
InChIKeyALBPUFSBOMQJHA-UHFFFAOYSA-N
XLogP1.35
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride 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-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
CID 121498106
3-methoxy-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711234

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride?
The IUPAC name of N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride (CID 140694639) is N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride is COc1cccc(C(=O)NC2CCNCC2C#N)c1.Cl.
What is the InChIKey of N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride?
The InChIKey is ALBPUFSBOMQJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-19-12-4-2-3-10(7-12)14(18)17-13-5-6-16-9-11(13)8-15;/h2-4,7,11,13,16H,5-6,9H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride?
N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 140694639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).