1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one

C19H27N3O4 — CID 120572209

IUPAC1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)c(OC)c1
InChIInChI=1S/C19H27N3O4/c1-12-13(2)21(8-7-20-12)19(24)14-9-18(23)22(11-14)16-6-5-15(25-3)10-17(16)26-4/h5-6,10,12-14,20H,7-9,11H2,1-4H3
InChIKeyBJDKQRVCVDUVAY-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.27
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 120572209) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID120572209
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)c(OC)c1
InChIInChI=1S/C19H27N3O4/c1-12-13(2)21(8-7-20-12)19(24)14-9-18(23)22(11-14)16-6-5-15(25-3)10-17(16)26-4/h5-6,10,12-14,20H,7-9,11H2,1-4H3
InChIKeyBJDKQRVCVDUVAY-UHFFFAOYSA-N
XLogP1.27
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120571907
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120570055
(4R)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351505
(4S)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351509
(4R)-1-(2,4-dimethoxyphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351549
(4S)-4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 11946747
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 120571726
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 119409348
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 113188501
(4R)-1-(2,4-dimethoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 39312119
1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 113188506
(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 94021989

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 120572209) is 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is BJDKQRVCVDUVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12-13(2)21(8-7-20-12)19(24)14-9-18(23)22(11-14)16-6-5-15(25-3)10-17(16)26-4/h5-6,10,12-14,20H,7-9,11H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 361.44 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 120572209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).