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

C18H27N3O4S — CID 55447305

IUPAC2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H27N3O4S/c1-25-16-7-3-4-8-17(16)26(23,24)21-13-11-19(12-14-21)15-18(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-15H2,1H3
InChIKeyDFXDLQFJTLDGAT-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.01
Rot. Bonds5

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

2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 55447305) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID55447305
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H27N3O4S/c1-25-16-7-3-4-8-17(16)26(23,24)21-13-11-19(12-14-21)15-18(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-15H2,1H3
InChIKeyDFXDLQFJTLDGAT-UHFFFAOYSA-N
XLogP1.01
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902438
methyl 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 55436625
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
1-[4-(2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797287
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110818318
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330
methyl 4-chloro-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzoate
CID 30872528
1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657
2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 39626456
2-[4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 57430490
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 46601713

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (CID 55447305) is 2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is COc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is DFXDLQFJTLDGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-25-16-7-3-4-8-17(16)26(23,24)21-13-11-19(12-14-21)15-18(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-15H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 381.50 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 55447305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).