2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

C19H29N3O — CID 92987749

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCc1ccccc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C19H29N3O/c1-16-7-3-4-9-18(16)21-13-11-20(12-14-21)15-19(23)22-10-6-5-8-17(22)2/h3-4,7,9,17H,5-6,8,10-15H2,1-2H3/t17-/m0/s1
InChIKeyZHJBFPUMUFWLLI-KRWDZBQOSA-N
MW315.46 g/mol
LogP2.52
Rot. Bonds3

About 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (PubChem CID 92987749) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
PubChem CID92987749
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCc1ccccc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C19H29N3O/c1-16-7-3-4-9-18(16)21-13-11-20(12-14-21)15-19(23)22-10-6-5-8-17(22)2/h3-4,7,9,17H,5-6,8,10-15H2,1-2H3/t17-/m0/s1
InChIKeyZHJBFPUMUFWLLI-KRWDZBQOSA-N
XLogP2.52
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 109004204
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 133351714
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
CID 95353092
2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 55563545
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99642062
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 95157459
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (CID 92987749) is 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is Cc1ccccc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is ZHJBFPUMUFWLLI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16-7-3-4-9-18(16)21-13-11-20(12-14-21)15-19(23)22-10-6-5-8-17(22)2/h3-4,7,9,17H,5-6,8,10-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 315.46 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 92987749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).