3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride

C15H23ClN2O — CID 18532138

IUPAC3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
SMILESCc1cccc(C(=O)NCC[NH+]2CCCCC2)c1.[Cl-]
InChIInChI=1S/C15H22N2O.ClH/c1-13-6-5-7-14(12-13)15(18)16-8-11-17-9-3-2-4-10-17;/h5-7,12H,2-4,8-11H2,1H3,(H,16,18);1H
InChIKeyOVUIJFXIJCXHCG-UHFFFAOYSA-N
MW282.81 g/mol
LogP-2.20
Rot. Bonds4

About 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride

3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride (PubChem CID 18532138) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
PubChem CID18532138
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
SMILESCc1cccc(C(=O)NCC[NH+]2CCCCC2)c1.[Cl-]
InChIInChI=1S/C15H22N2O.ClH/c1-13-6-5-7-14(12-13)15(18)16-8-11-17-9-3-2-4-10-17;/h5-7,12H,2-4,8-11H2,1H3,(H,16,18);1H
InChIKeyOVUIJFXIJCXHCG-UHFFFAOYSA-N
XLogP-2.20
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide
CID 4995663
3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7350254
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531259
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7346826
N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-3-methylbenzamide
CID 7577579
4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 5235614
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide
CID 110719076
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride?
The IUPAC name of 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride (CID 18532138) is 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride.
What is the SMILES notation for 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride?
The canonical SMILES for 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride is Cc1cccc(C(=O)NCC[NH+]2CCCCC2)c1.[Cl-].
What is the InChIKey of 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride?
The InChIKey is OVUIJFXIJCXHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-13-6-5-7-14(12-13)15(18)16-8-11-17-9-3-2-4-10-17;/h5-7,12H,2-4,8-11H2,1H3,(H,16,18);1H.
What are the key properties of 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride?
3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride has a molecular weight of 282.81 g/mol, XLogP of -2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride is sourced from PubChem (CID 18532138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).