1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine

C24H31NO2S — CID 21048761

IUPAC1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine
SMILESO=S(=O)(c1ccccc1)C1(CCCN2CCC(c3ccccc3)CC2)CCC1
InChIInChI=1S/C24H31NO2S/c26-28(27,23-11-5-2-6-12-23)24(15-7-16-24)17-8-18-25-19-13-22(14-20-25)21-9-3-1-4-10-21/h1-6,9-12,22H,7-8,13-20H2
InChIKeyDYZXPVFPQWEKIR-UHFFFAOYSA-N
MW397.58 g/mol
LogP5.04
Rot. Bonds7

About 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine

1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine (PubChem CID 21048761) has the molecular formula C24H31NO2S and a molecular weight of 397.58 g/mol. Its IUPAC name is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine
PubChem CID21048761
Molecular FormulaC24H31NO2S
Molecular Weight397.58 g/mol
Exact Mass397.21
IUPAC Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine
SMILESO=S(=O)(c1ccccc1)C1(CCCN2CCC(c3ccccc3)CC2)CCC1
InChIInChI=1S/C24H31NO2S/c26-28(27,23-11-5-2-6-12-23)24(15-7-16-24)17-8-18-25-19-13-22(14-20-25)21-9-3-1-4-10-21/h1-6,9-12,22H,7-8,13-20H2
InChIKeyDYZXPVFPQWEKIR-UHFFFAOYSA-N
XLogP5.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.58
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pridopidine
CID 9795739
Osu-6162
CID 9795741
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperidine
CID 22397829
Piperidine, 3-[3-(methylsulfonyl)phenyl]-1-propyl-, hydrochloride (1:1), (3S)-
CID 9836644
Ordopidine
CID 11701939
1-(2,4-Difluorophenethyl)-4-(phenylsulfonyl)piperidine
CID 9885465
1-(2,4-Difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine
CID 10861900
1-(2,4-Difluorophenethyl)-4-fluoro-4-(4-fluorophenylsulfonyl)piperidine
CID 11418182
1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fluoro-benzenesulfonyl)-piperidine
CID 44387732
1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fluoro-benzenesulfonyl)-piperidine
CID 44387733
4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl]-4-fluoro-piperidine
CID 44387746
Seridopidine
CID 11572784

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine?
The IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine (CID 21048761) is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine?
The canonical SMILES for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine is O=S(=O)(c1ccccc1)C1(CCCN2CCC(c3ccccc3)CC2)CCC1.
What is the InChIKey of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine?
The InChIKey is DYZXPVFPQWEKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2S/c26-28(27,23-11-5-2-6-12-23)24(15-7-16-24)17-8-18-25-19-13-22(14-20-25)21-9-3-1-4-10-21/h1-6,9-12,22H,7-8,13-20H2.
What are the key properties of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine?
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine has a molecular weight of 397.58 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine is sourced from PubChem (CID 21048761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).