1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

C18H25ClN2O2S — CID 120738860

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCC1CCCCO1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C18H25ClN2O2S/c19-16-7-2-1-6-15(16)17-11-20-8-9-21(17)18(22)13-24-12-14-5-3-4-10-23-14/h1-2,6-7,14,17,20H,3-5,8-13H2
InChIKeySIYRGLMHLUTQFF-UHFFFAOYSA-N
MW368.93 g/mol
LogP3.12
Rot. Bonds5

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone (PubChem CID 120738860) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone
PubChem CID120738860
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCC1CCCCO1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C18H25ClN2O2S/c19-16-7-2-1-6-15(16)17-11-20-8-9-21(17)18(22)13-24-12-14-5-3-4-10-23-14/h1-2,6-7,14,17,20H,3-5,8-13H2
InChIKeySIYRGLMHLUTQFF-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
1-(2-methylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119472660
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 120734193
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone;hydrochloride
CID 120739005
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone
CID 120739766
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxothiolan-3-yl)sulfanylethanone
CID 120739386
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 120739011

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone (CID 120738860) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone is O=C(CSCC1CCCCO1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone?
The InChIKey is SIYRGLMHLUTQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2S/c19-16-7-2-1-6-15(16)17-11-20-8-9-21(17)18(22)13-24-12-14-5-3-4-10-23-14/h1-2,6-7,14,17,20H,3-5,8-13H2.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone has a molecular weight of 368.93 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 120738860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).