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

C14H25N3O4S — CID 113003863

IUPAC1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C14H25N3O4S/c1-3-22(20,21)17-6-4-13(5-7-17)14(19)16-10-8-15(9-11-16)12(2)18/h13H,3-11H2,1-2H3
InChIKeyGHAQPSYEQJHEJQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP-0.26
Rot. Bonds3

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

1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 113003863) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID113003863
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C14H25N3O4S/c1-3-22(20,21)17-6-4-13(5-7-17)14(19)16-10-8-15(9-11-16)12(2)18/h13H,3-11H2,1-2H3
InChIKeyGHAQPSYEQJHEJQ-UHFFFAOYSA-N
XLogP-0.26
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone (CID 113003863) is 1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone is CCS(=O)(=O)N1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is GHAQPSYEQJHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-3-22(20,21)17-6-4-13(5-7-17)14(19)16-10-8-15(9-11-16)12(2)18/h13H,3-11H2,1-2H3.
What are the key properties of 1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 331.44 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113003863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).