2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

C16H25ClN2O — CID 119260712

IUPAC2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13-4-6-14(7-5-13)11-16(19)18-10-8-15-3-2-9-17-12-15;/h4-7,15,17H,2-3,8-12H2,1H3,(H,18,19);1H
InChIKeyGLGPGPWMCUPVRM-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.47
Rot. Bonds5

About 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119260712) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119260712
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13-4-6-14(7-5-13)11-16(19)18-10-8-15-3-2-9-17-12-15;/h4-7,15,17H,2-3,8-12H2,1H3,(H,18,19);1H
InChIKeyGLGPGPWMCUPVRM-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119558452
2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119537103
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (CID 119260712) is 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is Cc1ccc(CC(=O)NCCC2CCCNC2)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is GLGPGPWMCUPVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-13-4-6-14(7-5-13)11-16(19)18-10-8-15-3-2-9-17-12-15;/h4-7,15,17H,2-3,8-12H2,1H3,(H,18,19);1H.
What are the key properties of 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119260712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).