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

C17H25ClN2O2 — CID 171361833

IUPAC4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCOC2)cc1C1CCNCC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-12-2-3-14(17(20)19-15-6-9-21-11-15)10-16(12)13-4-7-18-8-5-13;/h2-3,10,13,15,18H,4-9,11H2,1H3,(H,19,20);1H
InChIKeyYUFLZLGKLDXNRO-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.40
Rot. Bonds3

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

4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 171361833) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride
PubChem CID171361833
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCOC2)cc1C1CCNCC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-12-2-3-14(17(20)19-15-6-9-21-11-15)10-16(12)13-4-7-18-8-5-13;/h2-3,10,13,15,18H,4-9,11H2,1H3,(H,19,20);1H
InChIKeyYUFLZLGKLDXNRO-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361895
3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide
CID 165436167
N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361829
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436172
3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide
CID 166082493
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
N-(oxolan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 80712536
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
N-cyclopentyl-3-piperidin-4-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 171361785
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride (CID 171361833) is 4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride is Cc1ccc(C(=O)NC2CCOC2)cc1C1CCNCC1.Cl.
What is the InChIKey of 4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is YUFLZLGKLDXNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-12-2-3-14(17(20)19-15-6-9-21-11-15)10-16(12)13-4-7-18-8-5-13;/h2-3,10,13,15,18H,4-9,11H2,1H3,(H,19,20);1H.
What are the key properties of 4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride?
4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 171361833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).