4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine

C20H32N2O3S — CID 146666610

IUPAC4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-3-16-25-19-4-6-20(7-5-19)26(23,24)22-14-10-18(11-15-22)21-12-8-17(2)9-13-21/h4-7,17-18H,3,8-16H2,1-2H3
InChIKeyFUTPGPHLZOCEOI-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.36
Rot. Bonds6

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

4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 146666610) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID146666610
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-3-16-25-19-4-6-20(7-5-19)26(23,24)22-14-10-18(11-15-22)21-12-8-17(2)9-13-21/h4-7,17-18H,3,8-16H2,1-2H3
InChIKeyFUTPGPHLZOCEOI-UHFFFAOYSA-N
XLogP3.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine (CID 146666610) is 4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine is CCCOc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is FUTPGPHLZOCEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-3-16-25-19-4-6-20(7-5-19)26(23,24)22-14-10-18(11-15-22)21-12-8-17(2)9-13-21/h4-7,17-18H,3,8-16H2,1-2H3.
What are the key properties of 4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 380.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 146666610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).