ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate

C22H25N3O5S — CID 67632421

IUPACethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(-n3ccc4cc(S(C)(=O)=O)ccc43)nc2)CC1
InChIInChI=1S/C22H25N3O5S/c1-3-29-22(26)24-11-9-17(10-12-24)30-18-4-7-21(23-15-18)25-13-8-16-14-19(31(2,27)28)5-6-20(16)25/h4-8,13-15,17H,3,9-12H2,1-2H3
InChIKeyPSNNZBJXEAHGSN-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.43
Rot. Bonds5

About ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate

ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 67632421) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID67632421
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Nameethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(-n3ccc4cc(S(C)(=O)=O)ccc43)nc2)CC1
InChIInChI=1S/C22H25N3O5S/c1-3-29-22(26)24-11-9-17(10-12-24)30-18-4-7-21(23-15-18)25-13-8-16-14-19(31(2,27)28)5-6-20(16)25/h4-8,13-15,17H,3,9-12H2,1-2H3
InChIKeyPSNNZBJXEAHGSN-UHFFFAOYSA-N
XLogP3.43
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole
CID 67616611
3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 67617483
1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
CID 67615447
5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67616450
3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 67807162
5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67805116
tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 86696183
tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 161459353
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554
4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67616289
pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone
CID 67615763
1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 67806870

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate (CID 67632421) is ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate is CCOC(=O)N1CCC(Oc2ccc(-n3ccc4cc(S(C)(=O)=O)ccc43)nc2)CC1.
What is the InChIKey of ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is PSNNZBJXEAHGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-3-29-22(26)24-11-9-17(10-12-24)30-18-4-7-21(23-15-18)25-13-8-16-14-19(31(2,27)28)5-6-20(16)25/h4-8,13-15,17H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate?
ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 443.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 67632421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).