4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine

C21H28N2O2S — CID 118314265

IUPAC4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C21H28N2O2S/c1-17-9-13-22(14-10-17)19-11-15-23(16-12-19)26(24,25)21-8-4-6-18-5-2-3-7-20(18)21/h2-8,17,19H,9-16H2,1H3
InChIKeyXJNICBLWQSTVHY-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.72
Rot. Bonds3

About 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine

4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine (PubChem CID 118314265) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
PubChem CID118314265
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C21H28N2O2S/c1-17-9-13-22(14-10-17)19-11-15-23(16-12-19)26(24,25)21-8-4-6-18-5-2-3-7-20(18)21/h2-8,17,19H,9-16H2,1H3
InChIKeyXJNICBLWQSTVHY-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
CID 138628016
N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride
CID 69420248
3-bromo-4-methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 102962673
1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine
CID 173116229
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728730
2-(4-methylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 24690272
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine
CID 5164537
4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
CID 2911508

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine?
The IUPAC name of 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine (CID 118314265) is 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine.
What is the SMILES notation for 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine?
The canonical SMILES for 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine is CC1CCN(C2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)CC1.
What is the InChIKey of 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine?
The InChIKey is XJNICBLWQSTVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-17-9-13-22(14-10-17)19-11-15-23(16-12-19)26(24,25)21-8-4-6-18-5-2-3-7-20(18)21/h2-8,17,19H,9-16H2,1H3.
What are the key properties of 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine?
4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine has a molecular weight of 372.53 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine is sourced from PubChem (CID 118314265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).