4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one

C21H30N2O2 — CID 113186953

IUPAC4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C(C)C)c1N1CC(C(=O)N2CCC(C)CC2)CC1=O
InChIInChI=1S/C21H30N2O2/c1-14(2)18-7-5-6-16(4)20(18)23-13-17(12-19(23)24)21(25)22-10-8-15(3)9-11-22/h5-7,14-15,17H,8-13H2,1-4H3
InChIKeyMWXJPDDSFYCZRE-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.73
Rot. Bonds3

About 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one

4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 113186953) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID113186953
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C(C)C)c1N1CC(C(=O)N2CCC(C)CC2)CC1=O
InChIInChI=1S/C21H30N2O2/c1-14(2)18-7-5-6-16(4)20(18)23-13-17(12-19(23)24)21(25)22-10-8-15(3)9-11-22/h5-7,14-15,17H,8-13H2,1-4H3
InChIKeyMWXJPDDSFYCZRE-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186377
4-(azepane-1-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 113186430
1-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186228
4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
CID 113189924
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 40979119
N-benzyl-1-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186967
(4S)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7438163
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
1-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119136682
1-(2,6-dimethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113186240
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one (CID 113186953) is 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one is Cc1cccc(C(C)C)c1N1CC(C(=O)N2CCC(C)CC2)CC1=O.
What is the InChIKey of 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is MWXJPDDSFYCZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14(2)18-7-5-6-16(4)20(18)23-13-17(12-19(23)24)21(25)22-10-8-15(3)9-11-22/h5-7,14-15,17H,8-13H2,1-4H3.
What are the key properties of 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one?
4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 113186953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).