2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

C19H27N3O3S — CID 8748884

IUPAC2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H27N3O3S/c23-19(21-10-5-2-6-11-21)17-20-12-14-22(15-13-20)26(24,25)16-9-18-7-3-1-4-8-18/h1,3-4,7-9,16H,2,5-6,10-15,17H2/b16-9+
InChIKeyOYJDQQIVCXMOIB-CXUHLZMHSA-N
MW377.51 g/mol
LogP1.62
Rot. Bonds5

About 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 8748884) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID8748884
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H27N3O3S/c23-19(21-10-5-2-6-11-21)17-20-12-14-22(15-13-20)26(24,25)16-9-18-7-3-1-4-8-18/h1,3-4,7-9,16H,2,5-6,10-15,17H2/b16-9+
InChIKeyOYJDQQIVCXMOIB-CXUHLZMHSA-N
XLogP1.62
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 97427429
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553828
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
2-ethoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496780
N-(3,5-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 2655992
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 2656048
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2685860
N-(2,5-difluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 6214863
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8689395

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (CID 8748884) is 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is OYJDQQIVCXMOIB-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-19(21-10-5-2-6-11-21)17-20-12-14-22(15-13-20)26(24,25)16-9-18-7-3-1-4-8-18/h1,3-4,7-9,16H,2,5-6,10-15,17H2/b16-9+.
What are the key properties of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 377.51 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 8748884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).