2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone

C19H23F3N2O4S — CID 55566577

IUPAC2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H23F3N2O4S/c20-19(21,22)29(27,28)16-7-5-15(6-8-16)18(26)24-11-9-23(10-12-24)17(25)13-14-3-1-2-4-14/h5-8,14H,1-4,9-13H2
InChIKeyUBKWNDLRMNMELH-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 55566577) has the molecular formula C19H23F3N2O4S and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone
PubChem CID55566577
Molecular FormulaC19H23F3N2O4S
Molecular Weight432.46 g/mol
Exact Mass432.13
IUPAC Name2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H23F3N2O4S/c20-19(21,22)29(27,28)16-7-5-15(6-8-16)18(26)24-11-9-23(10-12-24)17(25)13-14-3-1-2-4-14/h5-8,14H,1-4,9-13H2
InChIKeyUBKWNDLRMNMELH-UHFFFAOYSA-N
XLogP2.84
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586569
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 30806723
(4-methyl-1,4-diazepan-1-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 136575619
[(3S)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 124574517
2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 30831100
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55915941
1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 136538057
2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46294968
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 46610186
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119184625

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone (CID 55566577) is 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone is O=C(CC1CCCC1)N1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is UBKWNDLRMNMELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O4S/c20-19(21,22)29(27,28)16-7-5-15(6-8-16)18(26)24-11-9-23(10-12-24)17(25)13-14-3-1-2-4-14/h5-8,14H,1-4,9-13H2.
What are the key properties of 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 432.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55566577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).