4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

C18H24N2O2 — CID 70743002

IUPAC4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CC(C)N(C(=O)C3CCCC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-13-7-9-16(10-8-13)20-11-14(2)19(12-17(20)21)18(22)15-5-3-4-6-15/h7-10,14-15H,3-6,11-12H2,1-2H3
InChIKeyFUEAPNMPXOYNGH-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.75
Rot. Bonds2

About 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70743002) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID70743002
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CC(C)N(C(=O)C3CCCC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-13-7-9-16(10-8-13)20-11-14(2)19(12-17(20)21)18(22)15-5-3-4-6-15/h7-10,14-15H,3-6,11-12H2,1-2H3
InChIKeyFUEAPNMPXOYNGH-UHFFFAOYSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70728334
(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
CID 96582107
(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
(5S)-5-methyl-1-(4-methylphenyl)-4-(2-propylsulfanylacetyl)piperazin-2-one
CID 96580243
(5S)-5-methyl-1-(4-methylphenyl)-4-[4-(2-oxopiperidin-1-yl)butanoyl]piperazin-2-one
CID 96578839
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291
5-methyl-1-(4-methylphenyl)-4-[3-(1-methylpiperidin-4-yl)propanoyl]piperazin-2-one
CID 70767280
(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one
CID 97146765

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (CID 70743002) is 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CC(C)N(C(=O)C3CCCC3)CC2=O)cc1.
What is the InChIKey of 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is FUEAPNMPXOYNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-7-9-16(10-8-13)20-11-14(2)19(12-17(20)21)18(22)15-5-3-4-6-15/h7-10,14-15H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70743002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).