1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride

C24H30ClN3O2 — CID 120741192

IUPAC1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2cccc(CN3CCCC3=O)c2)cc1.Cl
InChIInChI=1S/C24H29N3O2.ClH/c1-2-18-8-10-20(11-9-18)22-16-25-12-14-27(22)24(29)21-6-3-5-19(15-21)17-26-13-4-7-23(26)28;/h3,5-6,8-11,15,22,25H,2,4,7,12-14,16-17H2,1H3;1H
InChIKeyHPJUKQZCUXSNEF-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.58
Rot. Bonds5

About 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride

1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (PubChem CID 120741192) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
PubChem CID120741192
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2cccc(CN3CCCC3=O)c2)cc1.Cl
InChIInChI=1S/C24H29N3O2.ClH/c1-2-18-8-10-20(11-9-18)22-16-25-12-14-27(22)24(29)21-6-3-5-19(15-21)17-26-13-4-7-23(26)28;/h3,5-6,8-11,15,22,25H,2,4,7,12-14,16-17H2,1H3;1H
InChIKeyHPJUKQZCUXSNEF-UHFFFAOYSA-N
XLogP3.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 120740821
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
1-[[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
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1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 110151677
1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 120740205
[2-(4-ethylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120740490
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (CID 120741192) is 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2cccc(CN3CCCC3=O)c2)cc1.Cl.
What is the InChIKey of 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is HPJUKQZCUXSNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2.ClH/c1-2-18-8-10-20(11-9-18)22-16-25-12-14-27(22)24(29)21-6-3-5-19(15-21)17-26-13-4-7-23(26)28;/h3,5-6,8-11,15,22,25H,2,4,7,12-14,16-17H2,1H3;1H.
What are the key properties of 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 427.98 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120741192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).