N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide

C17H23N3O4S — CID 113109653

IUPACN-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-13(21)14-2-4-15(5-3-14)18-17(22)20-9-7-19(8-10-20)16-6-11-25(23,24)12-16/h2-5,16H,6-12H2,1H3,(H,18,22)
InChIKeyUQUAYECXQFWQES-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.23
Rot. Bonds3

About N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide

N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide (PubChem CID 113109653) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
PubChem CID113109653
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-13(21)14-2-4-15(5-3-14)18-17(22)20-9-7-19(8-10-20)16-6-11-25(23,24)12-16/h2-5,16H,6-12H2,1H3,(H,18,22)
InChIKeyUQUAYECXQFWQES-UHFFFAOYSA-N
XLogP1.23
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
N-(1,3-benzodioxol-5-yl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109663
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
4-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methylphenyl)piperazine-1-carbothioamide
CID 8600244
N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109678
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
4-(1,1-dioxothiolan-3-yl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113109677
4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 24616441
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 24664554
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide (CID 113109653) is N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The InChIKey is UQUAYECXQFWQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-13(21)14-2-4-15(5-3-14)18-17(22)20-9-7-19(8-10-20)16-6-11-25(23,24)12-16/h2-5,16H,6-12H2,1H3,(H,18,22).
What are the key properties of N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113109653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).