N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide

C15H19F2N3O3S — CID 113109678

IUPACN-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H19F2N3O3S/c16-12-2-1-3-13(17)14(12)18-15(21)20-7-5-19(6-8-20)11-4-9-24(22,23)10-11/h1-3,11H,4-10H2,(H,18,21)
InChIKeyFIWIZAGBNDWQRE-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.30
Rot. Bonds2

About N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide

N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide (PubChem CID 113109678) has the molecular formula C15H19F2N3O3S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
PubChem CID113109678
Molecular FormulaC15H19F2N3O3S
Molecular Weight359.40 g/mol
Exact Mass359.11
IUPAC NameN-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H19F2N3O3S/c16-12-2-1-3-13(17)14(12)18-15(21)20-7-5-19(6-8-20)11-4-9-24(22,23)10-11/h1-3,11H,4-10H2,(H,18,21)
InChIKeyFIWIZAGBNDWQRE-UHFFFAOYSA-N
XLogP1.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109653
N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 24664554
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 17437748
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 31482465
(Z)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-(2-fluorophenyl)but-2-en-1-one
CID 60575584
4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 121187174
N-(1,3-benzodioxol-5-yl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109663
(3S)-3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818275
4-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106465
ethyl 2-[[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]amino]benzoate
CID 113109673

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide (CID 113109678) is N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide is O=C(Nc1c(F)cccc1F)N1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The InChIKey is FIWIZAGBNDWQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3S/c16-12-2-1-3-13(17)14(12)18-15(21)20-7-5-19(6-8-20)11-4-9-24(22,23)10-11/h1-3,11H,4-10H2,(H,18,21).
What are the key properties of N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113109678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).