1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one

C20H27N3O3 — CID 70758198

IUPAC1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)CCCN3CCCC3=O)CC2=O)c1
InChIInChI=1S/C20H27N3O3/c1-15-11-16(2)13-17(12-15)23-10-9-22(14-20(23)26)19(25)6-4-8-21-7-3-5-18(21)24/h11-13H,3-10,14H2,1-2H3
InChIKeyAATDGIKLLPNLJE-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.88
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one

1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one (PubChem CID 70758198) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one
PubChem CID70758198
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)CCCN3CCCC3=O)CC2=O)c1
InChIInChI=1S/C20H27N3O3/c1-15-11-16(2)13-17(12-15)23-10-9-22(14-20(23)26)19(25)6-4-8-21-7-3-5-18(21)24/h11-13H,3-10,14H2,1-2H3
InChIKeyAATDGIKLLPNLJE-UHFFFAOYSA-N
XLogP1.88
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one
CID 70774021
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
CID 56702528
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
(5S)-5-methyl-1-(4-methylphenyl)-4-[4-(2-oxopiperidin-1-yl)butanoyl]piperazin-2-one
CID 96578839
1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one
CID 156603888
1-[4-[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutyl]pyrrolidin-2-one
CID 124756894
1-[4-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]pyrrolidin-2-one
CID 91838729
1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 131949700
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72879992
N-[1-[2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 42272801
1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one (CID 70758198) is 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one is Cc1cc(C)cc(N2CCN(C(=O)CCCN3CCCC3=O)CC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one?
The InChIKey is AATDGIKLLPNLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-11-16(2)13-17(12-15)23-10-9-22(14-20(23)26)19(25)6-4-8-21-7-3-5-18(21)24/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one?
1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one has a molecular weight of 357.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one is sourced from PubChem (CID 70758198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).