5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine

C23H30ClN3O3S — CID 25253156

IUPAC5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine
SMILESCS(=O)(=O)N1CCC(c2ccc(OCC3CCN(c4ccc(Cl)cn4)CC3)cc2)CC1
InChIInChI=1S/C23H30ClN3O3S/c1-31(28,29)27-14-10-20(11-15-27)19-2-5-22(6-3-19)30-17-18-8-12-26(13-9-18)23-7-4-21(24)16-25-23/h2-7,16,18,20H,8-15,17H2,1H3
InChIKeyXUQPLUWKEGQLNI-UHFFFAOYSA-N
MW464.03 g/mol
LogP4.17
Rot. Bonds6

About 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine

5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine (PubChem CID 25253156) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine
PubChem CID25253156
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine
SMILESCS(=O)(=O)N1CCC(c2ccc(OCC3CCN(c4ccc(Cl)cn4)CC3)cc2)CC1
InChIInChI=1S/C23H30ClN3O3S/c1-31(28,29)27-14-10-20(11-15-27)19-2-5-22(6-3-19)30-17-18-8-12-26(13-9-18)23-7-4-21(24)16-25-23/h2-7,16,18,20H,8-15,17H2,1H3
InChIKeyXUQPLUWKEGQLNI-UHFFFAOYSA-N
XLogP4.17
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.03
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 68211784
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 146613771
1-[4-[4-(2-Methylbutan-2-yl)phenoxy]butyl]-4-pyridin-2-ylpiperazine
CID 145956832
1-[4-(4-Tert-butylphenoxy)butyl]-4-pyridin-2-ylpiperazine
CID 145959270
N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 155517226
N-(5-chloro-2-pyridinyl)-2-ethoxy-5-isopropylbenzenesulfonamide
CID 2234360
1-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine
CID 10717092
2-[1-(5-Chloro-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 54670857
5-tert-butyl-N-(5-chloropyridin-2-yl)-2-ethoxybenzenesulfonamide
CID 7574330
2-[4-[[4-(1-Methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 25253001
3-Chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 25253002
1-Methylsulfonyl-4-[[4-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]oxyphenyl]methyl]piperazine
CID 44481052

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine?
The IUPAC name of 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine (CID 25253156) is 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine?
The canonical SMILES for 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine is CS(=O)(=O)N1CCC(c2ccc(OCC3CCN(c4ccc(Cl)cn4)CC3)cc2)CC1.
What is the InChIKey of 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine?
The InChIKey is XUQPLUWKEGQLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-31(28,29)27-14-10-20(11-15-27)19-2-5-22(6-3-19)30-17-18-8-12-26(13-9-18)23-7-4-21(24)16-25-23/h2-7,16,18,20H,8-15,17H2,1H3.
What are the key properties of 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine?
5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine has a molecular weight of 464.03 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine is sourced from PubChem (CID 25253156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).