5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole

C17H22N4O — CID 166269555

IUPAC5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CCN(CC4CC4)CC3)n2)n1
InChIInChI=1S/C17H22N4O/c1-12-3-2-4-15(18-12)16-19-17(22-20-16)14-7-9-21(10-8-14)11-13-5-6-13/h2-4,13-14H,5-11H2,1H3
InChIKeyJZPUXXYBWTVQRS-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.03
Rot. Bonds4

About 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole

5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 166269555) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID166269555
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CCN(CC4CC4)CC3)n2)n1
InChIInChI=1S/C17H22N4O/c1-12-3-2-4-15(18-12)16-19-17(22-20-16)14-7-9-21(10-8-14)11-13-5-6-13/h2-4,13-14H,5-11H2,1H3
InChIKeyJZPUXXYBWTVQRS-UHFFFAOYSA-N
XLogP3.03
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride
CID 72716128
5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 107070924
5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one
CID 167979132
N-ethyl-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63553864
3-(6-methyl-2-pyridinyl)-5-[3-[[1-(piperidin-3-ylmethyl)piperidin-4-yl]methoxy]phenyl]-1,2,4-oxadiazole
CID 174991481
3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200894
(3S,5S)-5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912294
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350998
2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol
CID 139015602
3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 20967059
5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole
CID 175787985

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 166269555) is 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(C3CCN(CC4CC4)CC3)n2)n1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is JZPUXXYBWTVQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-3-2-4-15(18-12)16-19-17(22-20-16)14-7-9-21(10-8-14)11-13-5-6-13/h2-4,13-14H,5-11H2,1H3.
What are the key properties of 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 298.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166269555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).