2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide

C15H22N2O — CID 94471135

IUPAC2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide
SMILESCc1ccc(CC(=O)N[C@H]2CCCNC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-5-6-13(8-12(11)2)9-15(18)17-14-4-3-7-16-10-14/h5-6,8,14,16H,3-4,7,9-10H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyOMRJPKASCAWUEF-AWEZNQCLSA-N
MW246.35 g/mol
LogP1.71
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide

2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide (PubChem CID 94471135) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide
PubChem CID94471135
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide
SMILESCc1ccc(CC(=O)N[C@H]2CCCNC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-5-6-13(8-12(11)2)9-15(18)17-14-4-3-7-16-10-14/h5-6,8,14,16H,3-4,7,9-10H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyOMRJPKASCAWUEF-AWEZNQCLSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
1-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-3-[(3R)-piperidin-3-yl]urea
CID 166237828
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 86812954
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3,4-dimethylphenyl)acetamide
CID 62539474
2-(3-methyl-2-pyridinyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 107148570
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 43603726
2-(3,4-dimethylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114550146

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide (CID 94471135) is 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide is Cc1ccc(CC(=O)N[C@H]2CCCNC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide?
The InChIKey is OMRJPKASCAWUEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-6-13(8-12(11)2)9-15(18)17-14-4-3-7-16-10-14/h5-6,8,14,16H,3-4,7,9-10H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide?
2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide is sourced from PubChem (CID 94471135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).