4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one

C17H24N2O2 — CID 110709033

IUPAC4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one
SMILESCc1ccccc1CCC(=O)N1CCN(C(C)C)C(=O)C1
InChIInChI=1S/C17H24N2O2/c1-13(2)19-11-10-18(12-17(19)21)16(20)9-8-15-7-5-4-6-14(15)3/h4-7,13H,8-12H2,1-3H3
InChIKeyQSEACQSXZGHVKU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds4

About 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one

4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one (PubChem CID 110709033) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one
PubChem CID110709033
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one
SMILESCc1ccccc1CCC(=O)N1CCN(C(C)C)C(=O)C1
InChIInChI=1S/C17H24N2O2/c1-13(2)19-11-10-18(12-17(19)21)16(20)9-8-15-7-5-4-6-14(15)3/h4-7,13H,8-12H2,1-3H3
InChIKeyQSEACQSXZGHVKU-UHFFFAOYSA-N
XLogP2.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
CID 110708994
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
CID 110708995
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one;hydrochloride
CID 119520075
4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
CID 110708111
3-[4-[3-(2-methylphenyl)propanoyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108921809
methyl 4-[4-[3-(2-methylphenyl)propanoyl]-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797661
4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110709007
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863
3-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)propanamide
CID 110736722
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one (CID 110709033) is 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one is Cc1ccccc1CCC(=O)N1CCN(C(C)C)C(=O)C1.
What is the InChIKey of 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one?
The InChIKey is QSEACQSXZGHVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)19-11-10-18(12-17(19)21)16(20)9-8-15-7-5-4-6-14(15)3/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one?
4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110709033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).