[1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone

C21H24ClN3O3S — CID 124965144

IUPAC[1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H](c2cnccn2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H24ClN3O3S/c22-17-5-7-18(8-6-17)29(27,28)21(9-1-2-10-21)20(26)25-13-3-4-16(15-25)19-14-23-11-12-24-19/h5-8,11-12,14,16H,1-4,9-10,13,15H2/t16-/m1/s1
InChIKeyICTAZZDYEJSSSS-MRXNPFEDSA-N
MW433.96 g/mol
LogP3.62
Rot. Bonds4

About [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone

[1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone (PubChem CID 124965144) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone
PubChem CID124965144
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H](c2cnccn2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H24ClN3O3S/c22-17-5-7-18(8-6-17)29(27,28)21(9-1-2-10-21)20(26)25-13-3-4-16(15-25)19-14-23-11-12-24-19/h5-8,11-12,14,16H,1-4,9-10,13,15H2/t16-/m1/s1
InChIKeyICTAZZDYEJSSSS-MRXNPFEDSA-N
XLogP3.62
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride
CID 119377853
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone
CID 120657499
[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 51277317
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257303
1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 55456430
1,3-oxazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110271238
(E)-3-phenyl-1-(3-pyrazin-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 110102492
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 175652303
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423
2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 127246094

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone (CID 124965144) is [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone is O=C(N1CCC[C@@H](c2cnccn2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The InChIKey is ICTAZZDYEJSSSS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c22-17-5-7-18(8-6-17)29(27,28)21(9-1-2-10-21)20(26)25-13-3-4-16(15-25)19-14-23-11-12-24-19/h5-8,11-12,14,16H,1-4,9-10,13,15H2/t16-/m1/s1.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
[1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone has a molecular weight of 433.96 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 124965144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).