1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone

C15H27N3O4S — CID 113003864

IUPAC1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C15H27N3O4S/c1-3-12-23(21,22)18-6-4-14(5-7-18)15(20)17-10-8-16(9-11-17)13(2)19/h14H,3-12H2,1-2H3
InChIKeyKGGDYGDGOLYABE-UHFFFAOYSA-N
MW345.47 g/mol
LogP0.13
Rot. Bonds4

About 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone

1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 113003864) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID113003864
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C15H27N3O4S/c1-3-12-23(21,22)18-6-4-14(5-7-18)15(20)17-10-8-16(9-11-17)13(2)19/h14H,3-12H2,1-2H3
InChIKeyKGGDYGDGOLYABE-UHFFFAOYSA-N
XLogP0.13
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone (CID 113003864) is 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone is CCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KGGDYGDGOLYABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-3-12-23(21,22)18-6-4-14(5-7-18)15(20)17-10-8-16(9-11-17)13(2)19/h14H,3-12H2,1-2H3.
What are the key properties of 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113003864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).