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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Related Compounds

1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864
[4-(2,2-difluoroethyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 49071325
2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 55567324
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113003728
(3S,4S)-1-(1-ethylsulfonylpiperidine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953583
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
(1-ethylsulfonylpiperidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6500405
1-(1-ethylsulfonylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256328
1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone
CID 122244984
azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
CID 110335461

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).