3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

C13H18Cl2N2O — CID 120602026

IUPAC3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(Cl)c2)CCN1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-9-7-12(5-6-15-9)16-13(17)10-3-2-4-11(14)8-10;/h2-4,8-9,12,15H,5-7H2,1H3,(H,16,17);1H
InChIKeyCHWFLTFLQCEGHR-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.63
Rot. Bonds2

About 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120602026) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120602026
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(Cl)c2)CCN1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-9-7-12(5-6-15-9)16-13(17)10-3-2-4-11(14)8-10;/h2-4,8-9,12,15H,5-7H2,1H3,(H,16,17);1H
InChIKeyCHWFLTFLQCEGHR-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120598473
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120602026) is 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is CC1CC(NC(=O)c2cccc(Cl)c2)CCN1.Cl.
What is the InChIKey of 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is CHWFLTFLQCEGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c1-9-7-12(5-6-15-9)16-13(17)10-3-2-4-11(14)8-10;/h2-4,8-9,12,15H,5-7H2,1H3,(H,16,17);1H.
What are the key properties of 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120602026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).