propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate

C19H30N4O4 — CID 58484438

IUPACpropan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C19H30N4O4/c1-13(2)25-19(24)23-10-6-16(7-11-23)27-18-14(3)17(21-12-22-18)26-15-4-8-20-9-5-15/h12-13,15-16,20H,4-11H2,1-3H3
InChIKeyKEAZVWXBJMPMQI-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.30
Rot. Bonds5

About propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate

propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 58484438) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID58484438
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Namepropan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C19H30N4O4/c1-13(2)25-19(24)23-10-6-16(7-11-23)27-18-14(3)17(21-12-22-18)26-15-4-8-20-9-5-15/h12-13,15-16,20H,4-11H2,1-3H3
InChIKeyKEAZVWXBJMPMQI-UHFFFAOYSA-N
XLogP2.30
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701216
propan-2-yl 4-[5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 90152487
propan-2-yl 4-[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67540981
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
propan-2-yl 4-[6-[(5-cyano-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57390603
propan-2-yl 4-[6-(3-fluoro-1-oxidopyridin-1-ium-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856747
propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11362488
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
4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
CID 66327607
propan-2-yl 4-[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11386126
propan-2-yl 4-[6-[2-fluoro-4-(2-propan-2-yloxyethoxy)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11191059
propan-2-yl 4-[6-[2,3-difluoro-4-(2-methylsulfonylethyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856776

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 58484438) is propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate is Cc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is KEAZVWXBJMPMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-13(2)25-19(24)23-10-6-16(7-11-23)27-18-14(3)17(21-12-22-18)26-15-4-8-20-9-5-15/h12-13,15-16,20H,4-11H2,1-3H3.
What are the key properties of propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 58484438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).