4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride

C21H32ClN3O3 — CID 120734241

IUPAC4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride
SMILESCCCC(C)N1CC(C(=O)N2CCNCC2c2ccccc2OC)CC1=O.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-4-7-15(2)24-14-16(12-20(24)25)21(26)23-11-10-22-13-18(23)17-8-5-6-9-19(17)27-3;/h5-6,8-9,15-16,18,22H,4,7,10-14H2,1-3H3;1H
InChIKeyOTLVCOXMUBWJBH-UHFFFAOYSA-N
MW409.96 g/mol
LogP2.63
Rot. Bonds6

About 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride

4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride (PubChem CID 120734241) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride
PubChem CID120734241
Molecular FormulaC21H32ClN3O3
Molecular Weight409.96 g/mol
Exact Mass409.21
IUPAC Name4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride
SMILESCCCC(C)N1CC(C(=O)N2CCNCC2c2ccccc2OC)CC1=O.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-4-7-15(2)24-14-16(12-20(24)25)21(26)23-11-10-22-13-18(23)17-8-5-6-9-19(17)27-3;/h5-6,8-9,15-16,18,22H,4,7,10-14H2,1-3H3;1H
InChIKeyOTLVCOXMUBWJBH-UHFFFAOYSA-N
XLogP2.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120735351
1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
CID 120735194
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
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 120732830
3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735066
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120734114
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 120734221
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride (CID 120734241) is 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride is CCCC(C)N1CC(C(=O)N2CCNCC2c2ccccc2OC)CC1=O.Cl.
What is the InChIKey of 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride?
The InChIKey is OTLVCOXMUBWJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3.ClH/c1-4-7-15(2)24-14-16(12-20(24)25)21(26)23-11-10-22-13-18(23)17-8-5-6-9-19(17)27-3;/h5-6,8-9,15-16,18,22H,4,7,10-14H2,1-3H3;1H.
What are the key properties of 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride?
4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120734241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).