3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide

C12H24N4O3S — CID 22980208

IUPAC3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide
SMILESCC(C)N1CCC(N2CCN(S(N)(=O)=O)CC2=O)CC1
InChIInChI=1S/C12H24N4O3S/c1-10(2)14-5-3-11(4-6-14)16-8-7-15(9-12(16)17)20(13,18)19/h10-11H,3-9H2,1-2H3,(H2,13,18,19)
InChIKeyNOKBMALBZDXUJK-UHFFFAOYSA-N
MW304.42 g/mol
LogP-0.79
Rot. Bonds3

About 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide

3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide (PubChem CID 22980208) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide
PubChem CID22980208
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide
SMILESCC(C)N1CCC(N2CCN(S(N)(=O)=O)CC2=O)CC1
InChIInChI=1S/C12H24N4O3S/c1-10(2)14-5-3-11(4-6-14)16-8-7-15(9-12(16)17)20(13,18)19/h10-11H,3-9H2,1-2H3,(H2,13,18,19)
InChIKeyNOKBMALBZDXUJK-UHFFFAOYSA-N
XLogP-0.79
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide
CID 42955196
N-(1-ethylpiperidin-4-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 51107039
N,N-dimethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439627
Sdccgsbi-0662580.P001
CID 134788709
2-(2-Methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 45799915
4-(2-Oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide
CID 45804139
N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1442490
1-Acetyl-4-(piperidylsulfonyl)piperazine
CID 2238783
2-methyl-8-(piperidin-1-ylsulfonyl)hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50970299
N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
CID 71895834
1-Methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one
CID 21050526
4-Methyl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
CID 22980193

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide?
The IUPAC name of 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide (CID 22980208) is 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide.
What is the SMILES notation for 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide?
The canonical SMILES for 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide is CC(C)N1CCC(N2CCN(S(N)(=O)=O)CC2=O)CC1.
What is the InChIKey of 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide?
The InChIKey is NOKBMALBZDXUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-10(2)14-5-3-11(4-6-14)16-8-7-15(9-12(16)17)20(13,18)19/h10-11H,3-9H2,1-2H3,(H2,13,18,19).
What are the key properties of 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide?
3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 22980208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).