2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole

C18H23N5O — CID 163348144

IUPAC2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESc1nc(C2CCC2)cc(N2CCC(c3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-2-12(3-1)15-10-16(20-11-19-15)23-8-6-14(7-9-23)18-22-21-17(24-18)13-4-5-13/h10-14H,1-9H2
InChIKeyRPQJCNUHVFQGOD-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.39
Rot. Bonds4

About 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole

2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 163348144) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID163348144
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESc1nc(C2CCC2)cc(N2CCC(c3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-2-12(3-1)15-10-16(20-11-19-15)23-8-6-14(7-9-23)18-22-21-17(24-18)13-4-5-13/h10-14H,1-9H2
InChIKeyRPQJCNUHVFQGOD-UHFFFAOYSA-N
XLogP3.39
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole with MolForge

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Related Compounds

1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
CID 166602994
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 171335953
1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
CID 126849299
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
CID 139022902
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335566
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
CID 154853625
7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane
CID 171337916

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole (CID 163348144) is 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole is c1nc(C2CCC2)cc(N2CCC(c3nnc(C4CC4)o3)CC2)n1.
What is the InChIKey of 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is RPQJCNUHVFQGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-12(3-1)15-10-16(20-11-19-15)23-8-6-14(7-9-23)18-22-21-17(24-18)13-4-5-13/h10-14H,1-9H2.
What are the key properties of 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 325.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 163348144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).