1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride

C19H28ClN3O4 — CID 120571907

IUPAC1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1cc(OC)cc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)c1.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-12-13(2)21(6-5-20-12)19(24)14-7-18(23)22(11-14)15-8-16(25-3)10-17(9-15)26-4;/h8-10,12-14,20H,5-7,11H2,1-4H3;1H
InChIKeyNJPWHAAXLHBIMO-UHFFFAOYSA-N
MW397.90 g/mol
LogP1.69
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride

1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride (PubChem CID 120571907) has the molecular formula C19H28ClN3O4 and a molecular weight of 397.90 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
PubChem CID120571907
Molecular FormulaC19H28ClN3O4
Molecular Weight397.90 g/mol
Exact Mass397.18
IUPAC Name1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1cc(OC)cc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)c1.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-12-13(2)21(6-5-20-12)19(24)14-7-18(23)22(11-14)15-8-16(25-3)10-17(9-15)26-4;/h8-10,12-14,20H,5-7,11H2,1-4H3;1H
InChIKeyNJPWHAAXLHBIMO-UHFFFAOYSA-N
XLogP1.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120570055
1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120572209
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 120571726
(2S)-1-[(3R)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120077
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119413570
1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119648461
1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119648462
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride
CID 120570902
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119459681
(4S)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351509
(4R)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351505

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride (CID 120571907) is 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride is COc1cc(OC)cc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)c1.Cl.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is NJPWHAAXLHBIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4.ClH/c1-12-13(2)21(6-5-20-12)19(24)14-7-18(23)22(11-14)15-8-16(25-3)10-17(9-15)26-4;/h8-10,12-14,20H,5-7,11H2,1-4H3;1H.
What are the key properties of 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride?
1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 397.90 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120571907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).