propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C22H34N4O6S — CID 46701150

IUPACpropan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C22H34N4O6S/c1-15(2)30-22(27)25-10-6-17(7-11-25)31-20-16(3)21(24-14-23-20)32-18-8-12-26(13-9-18)33(28,29)19-4-5-19/h14-15,17-19H,4-13H2,1-3H3
InChIKeyOXQJFSQABWBUSY-UHFFFAOYSA-N
MW482.60 g/mol
LogP2.51
Rot. Bonds7

About propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 46701150) has the molecular formula C22H34N4O6S and a molecular weight of 482.60 g/mol. Its IUPAC name is propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID46701150
Molecular FormulaC22H34N4O6S
Molecular Weight482.60 g/mol
Exact Mass482.22
IUPAC Namepropan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C22H34N4O6S/c1-15(2)30-22(27)25-10-6-17(7-11-25)31-20-16(3)21(24-14-23-20)32-18-8-12-26(13-9-18)33(28,29)19-4-5-19/h14-15,17-19H,4-13H2,1-3H3
InChIKeyOXQJFSQABWBUSY-UHFFFAOYSA-N
XLogP2.51
TPSA111.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

Propan-2-yl 4-[5-methyl-6-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701214
(1-Methylcyclopropyl) 9-[6-(1-cyclopentylsulfonylpiperidin-4-yl)oxy-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53237758
(1-Methylcyclopropyl) 9-[5-fluoro-6-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]oxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53237759
(1-Methylcyclopropyl) 9-[5-fluoro-6-(1-propylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53237762
(1-Methylcyclopropyl) 9-[6-(1-ethylsulfonylpiperidin-4-yl)oxy-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53237986
(1-Methylcyclopropyl) 9-[5-fluoro-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53237988
(1-Methylcyclopropyl) 9-[5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]oxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53237989
(1-Methylcyclopropyl) 9-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53237990
(1-Methylcyclopropyl) 9-[5-fluoro-6-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53238223
Propan-2-yl 4-[5-methyl-6-[1-(trifluoromethylsulfonyl)piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484450
(1-Methylcyclopropyl) 9-[6-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]oxy-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 122447862
Propan-2-yl 4-[5-methyl-6-[1-(2,2,2-trifluoroethylsulfinyl)piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 135219613

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 46701150) is propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is OXQJFSQABWBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O6S/c1-15(2)30-22(27)25-10-6-17(7-11-25)31-20-16(3)21(24-14-23-20)32-18-8-12-26(13-9-18)33(28,29)19-4-5-19/h14-15,17-19H,4-13H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 482.60 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 46701150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).