tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate

C20H32N4O4 — CID 58484476

IUPACtert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H32N4O4/c1-14-17(26-15-5-9-21-10-6-15)22-13-23-18(14)27-16-7-11-24(12-8-16)19(25)28-20(2,3)4/h13,15-16,21H,5-12H2,1-4H3
InChIKeyMMRNDKPGGCCERB-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.69
Rot. Bonds4

About tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 58484476) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID58484476
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Nametert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H32N4O4/c1-14-17(26-15-5-9-21-10-6-15)22-13-23-18(14)27-16-7-11-24(12-8-16)19(25)28-20(2,3)4/h13,15-16,21H,5-12H2,1-4H3
InChIKeyMMRNDKPGGCCERB-UHFFFAOYSA-N
XLogP2.69
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 58484476) is tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate is Cc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is MMRNDKPGGCCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-14-17(26-15-5-9-21-10-6-15)22-13-23-18(14)27-16-7-11-24(12-8-16)19(25)28-20(2,3)4/h13,15-16,21H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 58484476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).