[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone

C16H19ClN2O4S — CID 119032218

IUPAC[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H19ClN2O4S/c17-14-3-1-2-12(10-14)15(20)18-5-7-19(8-6-18)16(21)13-4-9-24(22,23)11-13/h1-3,10,13H,4-9,11H2
InChIKeyMCJYFYXTQLIYGW-UHFFFAOYSA-N
MW370.86 g/mol
LogP1.06
Rot. Bonds2

About [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone

[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone (PubChem CID 119032218) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
PubChem CID119032218
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Name[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H19ClN2O4S/c17-14-3-1-2-12(10-14)15(20)18-5-7-19(8-6-18)16(21)13-4-9-24(22,23)11-13/h1-3,10,13H,4-9,11H2
InChIKeyMCJYFYXTQLIYGW-UHFFFAOYSA-N
XLogP1.06
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703840
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
4-[4-[(3R)-1,1-dioxothiolane-3-carbonyl]piperazine-1-carbonyl]benzonitrile
CID 25403268
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119747879
[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278834
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120625408
2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134797149

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The IUPAC name of [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone (CID 119032218) is [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone.
What is the SMILES notation for [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The canonical SMILES for [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone is O=C(c1cccc(Cl)c1)N1CCN(C(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The InChIKey is MCJYFYXTQLIYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c17-14-3-1-2-12(10-14)15(20)18-5-7-19(8-6-18)16(21)13-4-9-24(22,23)11-13/h1-3,10,13H,4-9,11H2.
What are the key properties of [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone has a molecular weight of 370.86 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone is sourced from PubChem (CID 119032218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).