4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine

C23H30N2O2S — CID 118314263

IUPAC4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccc(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C23H30N2O2S/c1-19-10-14-24(15-11-19)22-12-16-25(17-13-22)28(26,27)23-9-5-8-21(18-23)20-6-3-2-4-7-20/h2-9,18-19,22H,10-17H2,1H3
InChIKeyICBKWTDJVHLSAC-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.24
Rot. Bonds4

About 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine

4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 118314263) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID118314263
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccc(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C23H30N2O2S/c1-19-10-14-24(15-11-19)22-12-16-25(17-13-22)28(26,27)23-9-5-8-21(18-23)20-6-3-2-4-7-20/h2-9,18-19,22H,10-17H2,1H3
InChIKeyICBKWTDJVHLSAC-UHFFFAOYSA-N
XLogP4.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
SB-258741
CID 9863250
1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
4-Methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
1-(1-Benzyl-4-piperidinyl)-4-(phenylsulfonyl)piperazine
CID 1131737
N,N-Dimethyl-3-((S)-1-propyl-piperidin-3-yl)-benzenesulfonamide
CID 10018300
N-methyl-N-[2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide
CID 478308
N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-N-ethyl-acetamide
CID 478418

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine (CID 118314263) is 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine is CC1CCN(C2CCN(S(=O)(=O)c3cccc(-c4ccccc4)c3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is ICBKWTDJVHLSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-19-10-14-24(15-11-19)22-12-16-25(17-13-22)28(26,27)23-9-5-8-21(18-23)20-6-3-2-4-7-20/h2-9,18-19,22H,10-17H2,1H3.
What are the key properties of 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 398.57 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 118314263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).