1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one

C18H24ClN3O2 — CID 110283814

IUPAC1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
SMILESO=C(CC1NCCN(Cc2ccccc2Cl)C1=O)N1CCCCC1
InChIInChI=1S/C18H24ClN3O2/c19-15-7-3-2-6-14(15)13-22-11-8-20-16(18(22)24)12-17(23)21-9-4-1-5-10-21/h2-3,6-7,16,20H,1,4-5,8-13H2
InChIKeyOXRRUWZNRKZGOA-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.04
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one

1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one (PubChem CID 110283814) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
PubChem CID110283814
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
SMILESO=C(CC1NCCN(Cc2ccccc2Cl)C1=O)N1CCCCC1
InChIInChI=1S/C18H24ClN3O2/c19-15-7-3-2-6-14(15)13-22-11-8-20-16(18(22)24)12-17(23)21-9-4-1-5-10-21/h2-3,6-7,16,20H,1,4-5,8-13H2
InChIKeyOXRRUWZNRKZGOA-UHFFFAOYSA-N
XLogP2.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110283805
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-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283912
3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
CID 110283438
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110283156
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
CID 110283865
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
(5R)-3-[(2-chlorophenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 124906523
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282452

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one (CID 110283814) is 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one is O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)N1CCCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one?
The InChIKey is OXRRUWZNRKZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-15-7-3-2-6-14(15)13-22-11-8-20-16(18(22)24)12-17(23)21-9-4-1-5-10-21/h2-3,6-7,16,20H,1,4-5,8-13H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one?
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one has a molecular weight of 349.86 g/mol, XLogP of 2.04, 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-piperidin-1-ylethyl)piperazin-2-one is sourced from PubChem (CID 110283814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).