4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine

C23H31N3O4S — CID 90617490

IUPAC4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)cc1C
InChIInChI=1S/C23H31N3O4S/c1-18-17-22(3-4-23(18)29-2)31(27,28)26-15-7-19(8-16-26)25-13-9-21(10-14-25)30-20-5-11-24-12-6-20/h3-6,11-12,17,19,21H,7-10,13-16H2,1-2H3
InChIKeyMKFWJCOMNYUUHT-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.10
Rot. Bonds6

About 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine

4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine (PubChem CID 90617490) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
PubChem CID90617490
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)cc1C
InChIInChI=1S/C23H31N3O4S/c1-18-17-22(3-4-23(18)29-2)31(27,28)26-15-7-19(8-16-26)25-13-9-21(10-14-25)30-20-5-11-24-12-6-20/h3-6,11-12,17,19,21H,7-10,13-16H2,1-2H3
InChIKeyMKFWJCOMNYUUHT-UHFFFAOYSA-N
XLogP3.10
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617492
4-[1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617485
4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629242
2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 86264487
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396998
4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617489
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1093389
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
(4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617189
8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186745

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine?
The IUPAC name of 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine (CID 90617490) is 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine is COc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)cc1C.
What is the InChIKey of 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine?
The InChIKey is MKFWJCOMNYUUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-18-17-22(3-4-23(18)29-2)31(27,28)26-15-7-19(8-16-26)25-13-9-21(10-14-25)30-20-5-11-24-12-6-20/h3-6,11-12,17,19,21H,7-10,13-16H2,1-2H3.
What are the key properties of 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine?
4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine has a molecular weight of 445.59 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 90617490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).