[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C17H24N2O3S — CID 95601653

IUPAC[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1CCS(=O)(=O)C1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3S/c20-17(16-7-13-23(21,22)14-16)19-11-9-18(10-12-19)8-6-15-4-2-1-3-5-15/h1-5,16H,6-14H2/t16-/m0/s1
InChIKeyODNPXGZJWHSTIY-INIZCTEOSA-N
MW336.46 g/mol
LogP0.81
Rot. Bonds4

About [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 95601653) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID95601653
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1CCS(=O)(=O)C1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3S/c20-17(16-7-13-23(21,22)14-16)19-11-9-18(10-12-19)8-6-15-4-2-1-3-5-15/h1-5,16H,6-14H2/t16-/m0/s1
InChIKeyODNPXGZJWHSTIY-INIZCTEOSA-N
XLogP0.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
[(3S)-1,1-dioxothiolan-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 95568602
N-(1,1-dioxothiolan-3-yl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109683
(1,1-dioxothiolan-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 56809428
[(3S)-1,1-dioxothiolan-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94474525
[4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 9087043
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 9087044
1-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 46448850
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
CID 113074560
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;hydrochloride
CID 120631837

Frequently Asked Questions

What is the IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 95601653) is [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C([C@H]1CCS(=O)(=O)C1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is ODNPXGZJWHSTIY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(16-7-13-23(21,22)14-16)19-11-9-18(10-12-19)8-6-15-4-2-1-3-5-15/h1-5,16H,6-14H2/t16-/m0/s1.
What are the key properties of [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 336.46 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95601653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).