2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C17H23N3O4S — CID 9223139

IUPAC2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H23N3O4S/c21-16(18-15-6-11-25(23,24)13-15)12-19-7-9-20(10-8-19)17(22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21)/t15-/m1/s1
InChIKeyRNYJQVDUYCWHAX-OAHLLOKOSA-N
MW365.46 g/mol
LogP-0.25
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 9223139) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID9223139
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H23N3O4S/c21-16(18-15-6-11-25(23,24)13-15)12-19-7-9-20(10-8-19)17(22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21)/t15-/m1/s1
InChIKeyRNYJQVDUYCWHAX-OAHLLOKOSA-N
XLogP-0.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30726667
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9223376
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 97077026
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 71911996
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 94819756
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 30828376
N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37105606
N-(1,1-dioxothiolan-3-yl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109683
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 9223139) is 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is RNYJQVDUYCWHAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-16(18-15-6-11-25(23,24)13-15)12-19-7-9-20(10-8-19)17(22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21)/t15-/m1/s1.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 365.46 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 9223139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).