4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one

C14H18N2O — CID 155722146

IUPAC4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCNC(=O)C2)cc1C1CC1
InChIInChI=1S/C14H18N2O/c1-10-2-5-12(8-13(10)11-3-4-11)16-7-6-15-14(17)9-16/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,15,17)
InChIKeyQQAMKODDLWGQJW-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.81
Rot. Bonds2

About 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one

4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one (PubChem CID 155722146) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
PubChem CID155722146
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCNC(=O)C2)cc1C1CC1
InChIInChI=1S/C14H18N2O/c1-10-2-5-12(8-13(10)11-3-4-11)16-7-6-15-14(17)9-16/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,15,17)
InChIKeyQQAMKODDLWGQJW-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(3-oxopiperazin-1-yl)benzenecarbothioamide
CID 81278447
1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
CID 155722107
3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
CID 43586643
4-(4-ethylphenyl)piperazin-2-one
CID 117005105
4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one
CID 117005141
1-(3,4-dimethylphenyl)-1,4-diazocan-5-one
CID 117015442
4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117365564
2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide
CID 80646358
4-[3-chloro-4-(methylaminomethyl)phenyl]piperazin-2-one
CID 114064599
4-[4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 43281162
4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 62925510
3-[3-methyl-4-(3-oxopiperazin-1-yl)phenyl]prop-2-enoic acid
CID 76936213

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one (CID 155722146) is 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCNC(=O)C2)cc1C1CC1.
What is the InChIKey of 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one?
The InChIKey is QQAMKODDLWGQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-2-5-12(8-13(10)11-3-4-11)16-7-6-15-14(17)9-16/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,15,17).
What are the key properties of 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one?
4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 155722146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).