(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one

C17H22N2O2 — CID 93322251

IUPAC(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3CCC3)[C@H](C)C2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-12-6-8-15(9-7-12)19-11-10-18(13(2)16(19)20)17(21)14-4-3-5-14/h6-9,13-14H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyONRRBRDLWFHJRD-CYBMUJFWSA-N
MW286.38 g/mol
LogP2.36
Rot. Bonds2

About (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one

(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 93322251) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID93322251
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3CCC3)[C@H](C)C2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-12-6-8-15(9-7-12)19-11-10-18(13(2)16(19)20)17(21)14-4-3-5-14/h6-9,13-14H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyONRRBRDLWFHJRD-CYBMUJFWSA-N
XLogP2.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 24716206
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337
4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one
CID 24716171
4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
CID 24716134
1-(3-bromophenyl)-4-(cyclobutanecarbonyl)-3-methylpiperazin-2-one
CID 46743928
(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 93290815
4-(cyclopropanecarbonyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 24715846
(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93322323
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93322023
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70743002

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one (CID 93322251) is (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)C3CCC3)[C@H](C)C2=O)cc1.
What is the InChIKey of (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is ONRRBRDLWFHJRD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-8-15(9-7-12)19-11-10-18(13(2)16(19)20)17(21)14-4-3-5-14/h6-9,13-14H,3-5,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one?
(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 93322251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).