6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one

C18H24ClN3O2 — CID 138022261

IUPAC6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCc1c(Cl)cccc1N1CCN(C(=O)CC2CCCC(=O)N2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13-15(19)5-3-6-16(13)21-8-10-22(11-9-21)18(24)12-14-4-2-7-17(23)20-14/h3,5-6,14H,2,4,7-12H2,1H3,(H,20,23)
InChIKeyINBOLASEWDNHFD-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.36
Rot. Bonds3

About 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one

6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 138022261) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID138022261
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCc1c(Cl)cccc1N1CCN(C(=O)CC2CCCC(=O)N2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13-15(19)5-3-6-16(13)21-8-10-22(11-9-21)18(24)12-14-4-2-7-17(23)20-14/h3,5-6,14H,2,4,7-12H2,1H3,(H,20,23)
InChIKeyINBOLASEWDNHFD-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
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4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one
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1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
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1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 113076732
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
2-(2,6-dichlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2669186
[4-(aminomethyl)pyrrolidin-2-yl]-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 22458481
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
(1Z)-1-amino-1-[2-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]iminocyclopentylidene]propan-2-one
CID 146644435
6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one
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4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one (CID 138022261) is 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one is Cc1c(Cl)cccc1N1CCN(C(=O)CC2CCCC(=O)N2)CC1.
What is the InChIKey of 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is INBOLASEWDNHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13-15(19)5-3-6-16(13)21-8-10-22(11-9-21)18(24)12-14-4-2-7-17(23)20-14/h3,5-6,14H,2,4,7-12H2,1H3,(H,20,23).
What are the key properties of 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one?
6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 349.86 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 138022261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).