1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine

C24H32N2O3S — CID 138627971

IUPAC1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)c2)cc1
InChIInChI=1S/C24H32N2O3S/c1-19-10-14-25(15-11-19)22-12-16-26(17-13-22)30(27,28)24-5-3-4-21(18-24)20-6-8-23(29-2)9-7-20/h3-9,18-19,22H,10-17H2,1-2H3
InChIKeyHATNBNIFJNSRCF-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.25
Rot. Bonds5

About 1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 138627971) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID138627971
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)c2)cc1
InChIInChI=1S/C24H32N2O3S/c1-19-10-14-25(15-11-19)22-12-16-26(17-13-22)30(27,28)24-5-3-4-21(18-24)20-6-8-23(29-2)9-7-20/h3-9,18-19,22H,10-17H2,1-2H3
InChIKeyHATNBNIFJNSRCF-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

(8aR,12aS,13aS)-12-(4-methoxyphenyl)sulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307725
1-(Isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)piperidine
CID 9984928
4-(4-(1-(4-(4-Methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)-1-(phenylsulfonyl)piperidine
CID 44311717
1-(Butylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)piperidine
CID 44311718
4-(4-(1-(4-(4-Methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)-1-(propylsulfonyl)piperidine
CID 44311771
1-(Ethylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)piperidine
CID 44311987
Tasin-1
CID 1329829
1,4-Bis[(2-methoxy-5-methylphenyl)sulfonyl]-2-methylpiperazine
CID 2897110
1'-((4'-Methoxy-[1,1'-biphenyl]-4-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308435
1-[1-[4-(2-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314266
1-[1-[2-(4-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138628055
1-[1-[3-(2-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659837

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 138627971) is 1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine is COc1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)c2)cc1.
What is the InChIKey of 1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is HATNBNIFJNSRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-19-10-14-25(15-11-19)22-12-16-26(17-13-22)30(27,28)24-5-3-4-21(18-24)20-6-8-23(29-2)9-7-20/h3-9,18-19,22H,10-17H2,1-2H3.
What are the key properties of 1-[1-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-[3-(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-[3-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 138627971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).