1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride

C21H28ClN5O3 — CID 120880661

IUPAC1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCCOc1ccccc1N1CC(C(=O)N2CCNCC2c2nccn2C)CC1=O.Cl
InChIInChI=1S/C21H27N5O3.ClH/c1-3-29-18-7-5-4-6-16(18)26-14-15(12-19(26)27)21(28)25-11-8-22-13-17(25)20-23-9-10-24(20)2;/h4-7,9-10,15,17,22H,3,8,11-14H2,1-2H3;1H
InChIKeySYWSDIRCZCRYGH-UHFFFAOYSA-N
MW433.94 g/mol
LogP1.77
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride

1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride (PubChem CID 120880661) has the molecular formula C21H28ClN5O3 and a molecular weight of 433.94 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride
PubChem CID120880661
Molecular FormulaC21H28ClN5O3
Molecular Weight433.94 g/mol
Exact Mass433.19
IUPAC Name1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCCOc1ccccc1N1CC(C(=O)N2CCNCC2c2nccn2C)CC1=O.Cl
InChIInChI=1S/C21H27N5O3.ClH/c1-3-29-18-7-5-4-6-16(18)26-14-15(12-19(26)27)21(28)25-11-8-22-13-17(25)20-23-9-10-24(20)2;/h4-7,9-10,15,17,22H,3,8,11-14H2,1-2H3;1H
InChIKeySYWSDIRCZCRYGH-UHFFFAOYSA-N
XLogP1.77
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120879288
4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 120877602
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905
1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55454203
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
(2R)-1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371077
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
4-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120877849
1-(2-ethoxyphenyl)-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55717950

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride (CID 120880661) is 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride is CCOc1ccccc1N1CC(C(=O)N2CCNCC2c2nccn2C)CC1=O.Cl.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is SYWSDIRCZCRYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3.ClH/c1-3-29-18-7-5-4-6-16(18)26-14-15(12-19(26)27)21(28)25-11-8-22-13-17(25)20-23-9-10-24(20)2;/h4-7,9-10,15,17,22H,3,8,11-14H2,1-2H3;1H.
What are the key properties of 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120880661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).