4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine

C19H23NO4S — CID 163316787

IUPAC4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(OC)(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23NO4S/c1-23-17-9-6-10-18(15-17)25(21,22)20-13-11-19(24-2,12-14-20)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyGPKXBNSSMAJHEW-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.02
Rot. Bonds5

About 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine

4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine (PubChem CID 163316787) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine.

Molecular Properties

Compound Name4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
PubChem CID163316787
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(OC)(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23NO4S/c1-23-17-9-6-10-18(15-17)25(21,22)20-13-11-19(24-2,12-14-20)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyGPKXBNSSMAJHEW-UHFFFAOYSA-N
XLogP3.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565045
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904609
1-(3-methoxyphenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid
CID 81258397
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
2-[1-(3-methoxyphenyl)sulfonyl-4-(phenoxymethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 155990467
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine?
The IUPAC name of 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine (CID 163316787) is 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine.
What is the SMILES notation for 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine?
The canonical SMILES for 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine is COc1cccc(S(=O)(=O)N2CCC(OC)(c3ccccc3)CC2)c1.
What is the InChIKey of 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine?
The InChIKey is GPKXBNSSMAJHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-23-17-9-6-10-18(15-17)25(21,22)20-13-11-19(24-2,12-14-20)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine?
4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine has a molecular weight of 361.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine is sourced from PubChem (CID 163316787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).