2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

C20H25ClN2O — CID 120573776

IUPAC2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccccc1Cc1ccccc1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-15-19(12-7-13-21-15)22-20(23)18-11-6-5-10-17(18)14-16-8-3-2-4-9-16;/h2-6,8-11,15,19,21H,7,12-14H2,1H3,(H,22,23);1H
InChIKeyXQVSFCPOQWRTIC-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.57
Rot. Bonds4

About 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (PubChem CID 120573776) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
PubChem CID120573776
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccccc1Cc1ccccc1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-15-19(12-7-13-21-15)22-20(23)18-11-6-5-10-17(18)14-16-8-3-2-4-9-16;/h2-6,8-11,15,19,21H,7,12-14H2,1H3,(H,22,23);1H
InChIKeyXQVSFCPOQWRTIC-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
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N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 120577532
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
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2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 120577133
2-(2-amino-2-oxoethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577789
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 120577941
N-(2-methylpiperidin-3-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
CID 120574114
1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
CID 120574310

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (CID 120573776) is 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is CC1NCCCC1NC(=O)c1ccccc1Cc1ccccc1.Cl.
What is the InChIKey of 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is XQVSFCPOQWRTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-15-19(12-7-13-21-15)22-20(23)18-11-6-5-10-17(18)14-16-8-3-2-4-9-16;/h2-6,8-11,15,19,21H,7,12-14H2,1H3,(H,22,23);1H.
What are the key properties of 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120573776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).