4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride

C18H26ClN3O3 — CID 120570055

IUPAC4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1ccc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)cc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-12-13(2)20(9-8-19-12)18(23)14-10-17(22)21(11-14)15-4-6-16(24-3)7-5-15;/h4-7,12-14,19H,8-11H2,1-3H3;1H
InChIKeyYGWFUYHMKPXZMD-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.68
Rot. Bonds3

About 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride

4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 120570055) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID120570055
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1ccc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)cc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-12-13(2)20(9-8-19-12)18(23)14-10-17(22)21(11-14)15-4-6-16(24-3)7-5-15;/h4-7,12-14,19H,8-11H2,1-3H3;1H
InChIKeyYGWFUYHMKPXZMD-UHFFFAOYSA-N
XLogP1.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methylphenyl)pyrrolidin-2-one
CID 120571726
1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120572209
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
1-(4-methoxyphenyl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42949160
(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 51724484
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-(4-methoxyphenyl)-4-(6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 51125887

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride (CID 120570055) is 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride is COc1ccc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)cc1.Cl.
What is the InChIKey of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is YGWFUYHMKPXZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-12-13(2)20(9-8-19-12)18(23)14-10-17(22)21(11-14)15-4-6-16(24-3)7-5-15;/h4-7,12-14,19H,8-11H2,1-3H3;1H.
What are the key properties of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120570055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).