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

C24H32N2O3S — CID 146628088

IUPAC4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(OCc4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C24H32N2O3S/c1-20-11-15-25(16-12-20)22-13-17-26(18-14-22)30(27,28)24-9-7-23(8-10-24)29-19-21-5-3-2-4-6-21/h2-10,20,22H,11-19H2,1H3
InChIKeyFPRKAQNCIVZMTO-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.15
Rot. Bonds6

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

4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 146628088) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID146628088
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(OCc4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C24H32N2O3S/c1-20-11-15-25(16-12-20)22-13-17-26(18-14-22)30(27,28)24-9-7-23(8-10-24)29-19-21-5-3-2-4-6-21/h2-10,20,22H,11-19H2,1H3
InChIKeyFPRKAQNCIVZMTO-UHFFFAOYSA-N
XLogP4.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.15
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-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine (CID 146628088) is 4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine is CC1CCN(C2CCN(S(=O)(=O)c3ccc(OCc4ccccc4)cc3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is FPRKAQNCIVZMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-20-11-15-25(16-12-20)22-13-17-26(18-14-22)30(27,28)24-9-7-23(8-10-24)29-19-21-5-3-2-4-6-21/h2-10,20,22H,11-19H2,1H3.
What are the key properties of 4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 428.60 g/mol, XLogP of 4.15, 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-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 146628088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).