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

C16H23N3O3S — CID 24664554

IUPACN-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16(17-12-14-4-2-1-3-5-14)19-9-7-18(8-10-19)15-6-11-23(21,22)13-15/h1-5,15H,6-13H2,(H,17,20)
InChIKeyGTAYWBPXFKRJGL-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.70
Rot. Bonds3

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

N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide (PubChem CID 24664554) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
PubChem CID24664554
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC NameN-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16(17-12-14-4-2-1-3-5-14)19-9-7-18(8-10-19)15-6-11-23(21,22)13-15/h1-5,15H,6-13H2,(H,17,20)
InChIKeyGTAYWBPXFKRJGL-UHFFFAOYSA-N
XLogP0.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108379
1-benzyl-3-[1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 55914482
4-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106465
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 24616441
4-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-phenylethyl)piperazine-1-carbothioamide
CID 9284168
2-benzylsulfanyl-1-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]ethanone
CID 8620858
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109678
N-benzyl-4-(oxolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160951
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
(E)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 134033946

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide (CID 24664554) is N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The InChIKey is GTAYWBPXFKRJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(17-12-14-4-2-1-3-5-14)19-9-7-18(8-10-19)15-6-11-23(21,22)13-15/h1-5,15H,6-13H2,(H,17,20).
What are the key properties of N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 24664554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).