1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride

C17H23Cl2N3O2 — CID 110283805

IUPAC1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)N1CCCC1
InChIInChI=1S/C17H22ClN3O2.ClH/c18-14-6-2-1-5-13(14)12-21-10-7-19-15(17(21)23)11-16(22)20-8-3-4-9-20;/h1-2,5-6,15,19H,3-4,7-12H2;1H
InChIKeyBGYIIYNQGQTVSR-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.07
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride

1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride (PubChem CID 110283805) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
PubChem CID110283805
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)N1CCCC1
InChIInChI=1S/C17H22ClN3O2.ClH/c18-14-6-2-1-5-13(14)12-21-10-7-19-15(17(21)23)11-16(22)20-8-3-4-9-20;/h1-2,5-6,15,19H,3-4,7-12H2;1H
InChIKeyBGYIIYNQGQTVSR-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283814
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
CID 110283855
3-[2-(azepan-1-yl)-2-oxoethyl]-1-[(3-bromophenyl)methyl]piperazin-2-one;hydrochloride
CID 110283633
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110283156
2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
CID 110283865
1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283912
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
CID 110283438
(5R)-3-[(2-chlorophenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 124906523

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride (CID 110283805) is 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride is Cl.O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)N1CCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride?
The InChIKey is BGYIIYNQGQTVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2.ClH/c18-14-6-2-1-5-13(14)12-21-10-7-19-15(17(21)23)11-16(22)20-8-3-4-9-20;/h1-2,5-6,15,19H,3-4,7-12H2;1H.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride?
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 110283805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).