1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine

C24H32N2O3S — CID 118308435

IUPAC1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O3S/c1-19-11-15-25(16-12-19)22-13-17-26(18-14-22)30(27,28)24-9-5-21(6-10-24)20-3-7-23(29-2)8-4-20/h3-10,19,22H,11-18H2,1-2H3
InChIKeyOADFQKHVIOVIKJ-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.25
Rot. Bonds5

About 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 118308435) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID118308435
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O3S/c1-19-11-15-25(16-12-19)22-13-17-26(18-14-22)30(27,28)24-9-5-21(6-10-24)20-3-7-23(29-2)8-4-20/h3-10,19,22H,11-18H2,1-2H3
InChIKeyOADFQKHVIOVIKJ-UHFFFAOYSA-N
XLogP4.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
CID 121165211
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
1-[1-[4-(2-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314270
1-[1-(4-isocyanophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 123887720
4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 118308396
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1317657
1-[4-(4-bromophenoxy)phenyl]sulfonyl-4-methylpiperidine
CID 91806952
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
4-chloro-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine
CID 114683611
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 118308435) is 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine is COc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)cc2)cc1.
What is the InChIKey of 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is OADFQKHVIOVIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-19-11-15-25(16-12-19)22-13-17-26(18-14-22)30(27,28)24-9-5-21(6-10-24)20-3-7-23(29-2)8-4-20/h3-10,19,22H,11-18H2,1-2H3.
What are the key properties of 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 428.60 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 118308435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).