2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

C19H28FN3O3S — CID 25490815

IUPAC2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O3S/c1-2-17-5-3-4-10-22(17)15-19(24)21-11-13-23(14-12-21)27(25,26)18-8-6-16(20)7-9-18/h6-9,17H,2-5,10-15H2,1H3/t17-/m0/s1
InChIKeyXGEYEIZQLIFXJX-KRWDZBQOSA-N
MW397.52 g/mol
LogP1.92
Rot. Bonds5

About 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 25490815) has the molecular formula C19H28FN3O3S and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID25490815
Molecular FormulaC19H28FN3O3S
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O3S/c1-2-17-5-3-4-10-22(17)15-19(24)21-11-13-23(14-12-21)27(25,26)18-8-6-16(20)7-9-18/h6-9,17H,2-5,10-15H2,1H3/t17-/m0/s1
InChIKeyXGEYEIZQLIFXJX-KRWDZBQOSA-N
XLogP1.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-ethylpiperidin-1-yl)ethanone
CID 46614012
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 55827655
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone
CID 17495380
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8623270
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422553
1-ethyl-4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 55909367
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797246
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119678798
2-chloro-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 156906193
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-pyrazol-1-ylethanone
CID 99163816
2-[(2R)-2-methylpiperidin-1-yl]-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone
CID 8623032

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 25490815) is 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is CC[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is XGEYEIZQLIFXJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28FN3O3S/c1-2-17-5-3-4-10-22(17)15-19(24)21-11-13-23(14-12-21)27(25,26)18-8-6-16(20)7-9-18/h6-9,17H,2-5,10-15H2,1H3/t17-/m0/s1.
What are the key properties of 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 397.52 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 25490815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).