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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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).