3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride

C17H21ClN4O — CID 120910733

IUPAC3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C17H20N4O.ClH/c18-17(22)15-3-1-2-13(10-15)12-21-9-8-20-11-16(21)14-4-6-19-7-5-14;/h1-7,10,16,20H,8-9,11-12H2,(H2,18,22);1H
InChIKeyIWUCIHRACDNFSF-UHFFFAOYSA-N
MW332.84 g/mol
LogP1.75
Rot. Bonds4

About 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride

3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride (PubChem CID 120910733) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
PubChem CID120910733
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C17H20N4O.ClH/c18-17(22)15-3-1-2-13(10-15)12-21-9-8-20-11-16(21)14-4-6-19-7-5-14;/h1-7,10,16,20H,8-9,11-12H2,(H2,18,22);1H
InChIKeyIWUCIHRACDNFSF-UHFFFAOYSA-N
XLogP1.75
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;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

4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910845
2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 120909944
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(4-methoxy-3-nitrophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910353
1-[(3-nitrophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755563

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride (CID 120910733) is 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride is Cl.NC(=O)c1cccc(CN2CCNCC2c2ccncc2)c1.
What is the InChIKey of 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride?
The InChIKey is IWUCIHRACDNFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.ClH/c18-17(22)15-3-1-2-13(10-15)12-21-9-8-20-11-16(21)14-4-6-19-7-5-14;/h1-7,10,16,20H,8-9,11-12H2,(H2,18,22);1H.
What are the key properties of 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride?
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride has a molecular weight of 332.84 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 120910733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).