3-methyl-5-piperidin-4-ylbenzamide;hydrochloride

C13H19ClN2O — CID 165436136

IUPAC3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(N)=O)cc(C2CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-6-11(8-12(7-9)13(14)16)10-2-4-15-5-3-10;/h6-8,10,15H,2-5H2,1H3,(H2,14,16);1H
InChIKeyNLQQBQDIECGOAB-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.98
Rot. Bonds2

About 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride

3-methyl-5-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 165436136) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
PubChem CID165436136
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(N)=O)cc(C2CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-6-11(8-12(7-9)13(14)16)10-2-4-15-5-3-10;/h6-8,10,15H,2-5H2,1H3,(H2,14,16);1H
InChIKeyNLQQBQDIECGOAB-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride (CID 165436136) is 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride is Cc1cc(C(N)=O)cc(C2CCNCC2)c1.Cl.
What is the InChIKey of 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is NLQQBQDIECGOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-9-6-11(8-12(7-9)13(14)16)10-2-4-15-5-3-10;/h6-8,10,15H,2-5H2,1H3,(H2,14,16);1H.
What are the key properties of 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride?
3-methyl-5-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 165436136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).