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

C17H25ClN2O2 — CID 171361895

IUPAC2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(C2CCNCC2)cc1C(=O)NC1CCOC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-12-2-3-14(13-4-7-18-8-5-13)10-16(12)17(20)19-15-6-9-21-11-15;/h2-3,10,13,15,18H,4-9,11H2,1H3,(H,19,20);1H
InChIKeyRZKJOCJBDOOIBF-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride

2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 171361895) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride
PubChem CID171361895
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(C2CCNCC2)cc1C(=O)NC1CCOC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-12-2-3-14(13-4-7-18-8-5-13)10-16(12)17(20)19-15-6-9-21-11-15;/h2-3,10,13,15,18H,4-9,11H2,1H3,(H,19,20);1H
InChIKeyRZKJOCJBDOOIBF-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

N-cyclopentyl-2-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361893
4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361833
2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
CID 171361952
N,2-dimethyl-5-piperidin-4-ylbenzamide
CID 171361874
3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide
CID 165436167
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
2-methyl-5-piperidin-4-ylbenzamide
CID 175991950
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436172
2-hydroxy-5-methyl-N-(oxolan-3-yl)benzamide
CID 80712573
2-(ethylamino)-4-methyl-N-(oxolan-3-yl)benzamide
CID 80714846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride (CID 171361895) is 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride is Cc1ccc(C2CCNCC2)cc1C(=O)NC1CCOC1.Cl.
What is the InChIKey of 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is RZKJOCJBDOOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-12-2-3-14(13-4-7-18-8-5-13)10-16(12)17(20)19-15-6-9-21-11-15;/h2-3,10,13,15,18H,4-9,11H2,1H3,(H,19,20);1H.
What are the key properties of 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride?
2-methyl-N-(oxolan-3-yl)-5-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 2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 171361895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).