1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine

C18H27N5O — CID 129252279

IUPAC1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NCC(C)C)CC2)c(-c2nc(C)no2)c1
InChIInChI=1S/C18H27N5O/c1-12(2)10-19-15-5-7-23(8-6-15)17-16(9-13(3)11-20-17)18-21-14(4)22-24-18/h9,11-12,15,19H,5-8,10H2,1-4H3
InChIKeyHQYXHWQRNGEXAT-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.96
Rot. Bonds5

About 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine

1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 129252279) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID129252279
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NCC(C)C)CC2)c(-c2nc(C)no2)c1
InChIInChI=1S/C18H27N5O/c1-12(2)10-19-15-5-7-23(8-6-15)17-16(9-13(3)11-20-17)18-21-14(4)22-24-18/h9,11-12,15,19H,5-8,10H2,1-4H3
InChIKeyHQYXHWQRNGEXAT-UHFFFAOYSA-N
XLogP2.96
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine (CID 129252279) is 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine is Cc1cnc(N2CCC(NCC(C)C)CC2)c(-c2nc(C)no2)c1.
What is the InChIKey of 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is HQYXHWQRNGEXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-12(2)10-19-15-5-7-23(8-6-15)17-16(9-13(3)11-20-17)18-21-14(4)22-24-18/h9,11-12,15,19H,5-8,10H2,1-4H3.
What are the key properties of 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine?
1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 129252279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).