1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride

C20H32Cl2N4O3 — CID 120735194

IUPAC1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CC(=O)N(CCN(C)C)C1.Cl.Cl
InChIInChI=1S/C20H30N4O3.2ClH/c1-22(2)10-11-23-14-15(12-19(23)25)20(26)24-9-8-21-13-17(24)16-6-4-5-7-18(16)27-3;;/h4-7,15,17,21H,8-14H2,1-3H3;2*1H
InChIKeyJXIHAPRLOKFOLB-UHFFFAOYSA-N
MW447.41 g/mol
LogP1.42
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride

1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride (PubChem CID 120735194) has the molecular formula C20H32Cl2N4O3 and a molecular weight of 447.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
PubChem CID120735194
Molecular FormulaC20H32Cl2N4O3
Molecular Weight447.41 g/mol
Exact Mass446.19
IUPAC Name1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CC(=O)N(CCN(C)C)C1.Cl.Cl
InChIInChI=1S/C20H30N4O3.2ClH/c1-22(2)10-11-23-14-15(12-19(23)25)20(26)24-9-8-21-13-17(24)16-6-4-5-7-18(16)27-3;;/h4-7,15,17,21H,8-14H2,1-3H3;2*1H
InChIKeyJXIHAPRLOKFOLB-UHFFFAOYSA-N
XLogP1.42
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride
CID 120734241
1-tert-butyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120735351
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735066
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120735018
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione;hydrochloride
CID 120733120
3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120734352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride (CID 120735194) is 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)C1CC(=O)N(CCN(C)C)C1.Cl.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is JXIHAPRLOKFOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3.2ClH/c1-22(2)10-11-23-14-15(12-19(23)25)20(26)24-9-8-21-13-17(24)16-6-4-5-7-18(16)27-3;;/h4-7,15,17,21H,8-14H2,1-3H3;2*1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride?
1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 447.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 120735194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).