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

C19H33N3O4S — CID 55567324

IUPAC2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)CC1
InChIInChI=1S/C19H33N3O4S/c1-2-27(25,26)22-9-7-17(8-10-22)19(24)21-13-11-20(12-14-21)18(23)15-16-5-3-4-6-16/h16-17H,2-15H2,1H3
InChIKeyMHCQGMBENUKQSR-UHFFFAOYSA-N
MW399.56 g/mol
LogP1.30
Rot. Bonds5

About 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55567324) has the molecular formula C19H33N3O4S and a molecular weight of 399.56 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID55567324
Molecular FormulaC19H33N3O4S
Molecular Weight399.56 g/mol
Exact Mass399.22
IUPAC Name2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)CC1
InChIInChI=1S/C19H33N3O4S/c1-2-27(25,26)22-9-7-17(8-10-22)19(24)21-13-11-20(12-14-21)18(23)15-16-5-3-4-6-16/h16-17H,2-15H2,1H3
InChIKeyMHCQGMBENUKQSR-UHFFFAOYSA-N
XLogP1.30
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003863
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 58615983
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
[4-(2,2-difluoroethyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 49071325
1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 53118801
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120988358
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113003728
2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119767012
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120988357

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone (CID 55567324) is 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone is CCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MHCQGMBENUKQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4S/c1-2-27(25,26)22-9-7-17(8-10-22)19(24)21-13-11-20(12-14-21)18(23)15-16-5-3-4-6-16/h16-17H,2-15H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 399.56 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55567324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).