3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride

C18H27ClN2O2 — CID 165436172

IUPAC3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCOCC2)cc(C2CCNCC2)c1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-10-15(14-2-6-19-7-3-14)12-16(11-13)18(21)20-17-4-8-22-9-5-17;/h10-12,14,17,19H,2-9H2,1H3,(H,20,21);1H
InChIKeyYOGZWCARDRTTOT-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.79
Rot. Bonds3

About 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride

3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 165436172) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride
PubChem CID165436172
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCOCC2)cc(C2CCNCC2)c1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-10-15(14-2-6-19-7-3-14)12-16(11-13)18(21)20-17-4-8-22-9-5-17;/h10-12,14,17,19H,2-9H2,1H3,(H,20,21);1H
InChIKeyYOGZWCARDRTTOT-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide
CID 165436167
N-cyclohexyl-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436170
3-methyl-N-(1-methylpiperidin-4-yl)-5-piperidin-4-ylbenzamide
CID 165436175
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436162
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide
CID 165436163
3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436136
4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361833
2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361895
2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
CID 171361952
N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
CID 166176264
N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365215
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride (CID 165436172) is 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride is Cc1cc(C(=O)NC2CCOCC2)cc(C2CCNCC2)c1.Cl.
What is the InChIKey of 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is YOGZWCARDRTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13-10-15(14-2-6-19-7-3-14)12-16(11-13)18(21)20-17-4-8-22-9-5-17;/h10-12,14,17,19H,2-9H2,1H3,(H,20,21);1H.
What are the key properties of 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride?
3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 165436172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).