1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate

C22H31F3N2O6S — CID 67449911

IUPAC1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
SMILESCc1nc(S(C)(=O)=O)ccc1OC1CCC(OC2CCN(C(=O)OC(CF)C(F)F)CC2)CC1
InChIInChI=1S/C22H31F3N2O6S/c1-14-18(7-8-20(26-14)34(2,29)30)32-16-5-3-15(4-6-16)31-17-9-11-27(12-10-17)22(28)33-19(13-23)21(24)25/h7-8,15-17,19,21H,3-6,9-13H2,1-2H3
InChIKeyGFSKBWVHWSDISN-UHFFFAOYSA-N
MW508.56 g/mol
LogP3.70
Rot. Bonds8

About 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate

1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate (PubChem CID 67449911) has the molecular formula C22H31F3N2O6S and a molecular weight of 508.56 g/mol. Its IUPAC name is 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
PubChem CID67449911
Molecular FormulaC22H31F3N2O6S
Molecular Weight508.56 g/mol
Exact Mass508.19
IUPAC Name1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
SMILESCc1nc(S(C)(=O)=O)ccc1OC1CCC(OC2CCN(C(=O)OC(CF)C(F)F)CC2)CC1
InChIInChI=1S/C22H31F3N2O6S/c1-14-18(7-8-20(26-14)34(2,29)30)32-16-5-3-15(4-6-16)31-17-9-11-27(12-10-17)22(28)33-19(13-23)21(24)25/h7-8,15-17,19,21H,3-6,9-13H2,1-2H3
InChIKeyGFSKBWVHWSDISN-UHFFFAOYSA-N
XLogP3.70
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carbothioic S-acid
CID 89388599
2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine
CID 71224932
propan-2-yl 4-[4-[(6-cyano-2-methyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 53492466
1,3-difluoropropan-2-yl 4-[4-(5-methylsulfonylpyrazin-2-yl)oxycyclohexyl]oxypiperidine-1-carboxylate
CID 53491780
tert-butyl (1S,5S)-3-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 71523611
(1-ethylcyclopropyl) 4-[5-fluoro-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 118711776
propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700963
propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11362488
butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700959
propan-2-yl 4-[6-[2,3-difluoro-4-(2-methylsulfonylethyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856776
propan-2-yl 4-[5-methyl-6-[[2-methyl-6-(2-propan-2-yloxyethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856722
[(2R)-1,1,1-trifluoropropan-2-yl] 4-[4-[(3-iodo-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 71491103

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate?
The IUPAC name of 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate (CID 67449911) is 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate?
The canonical SMILES for 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate is Cc1nc(S(C)(=O)=O)ccc1OC1CCC(OC2CCN(C(=O)OC(CF)C(F)F)CC2)CC1.
What is the InChIKey of 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate?
The InChIKey is GFSKBWVHWSDISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2O6S/c1-14-18(7-8-20(26-14)34(2,29)30)32-16-5-3-15(4-6-16)31-17-9-11-27(12-10-17)22(28)33-19(13-23)21(24)25/h7-8,15-17,19,21H,3-6,9-13H2,1-2H3.
What are the key properties of 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate?
1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate has a molecular weight of 508.56 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoropropan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 67449911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).