5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C18H25N3O2 — CID 133464962

IUPAC5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(CC2CCN(c3nc(C(C)C)no3)CC2)c1
InChIInChI=1S/C18H25N3O2/c1-13(2)17-19-18(23-20-17)21-9-7-14(8-10-21)11-15-5-4-6-16(12-15)22-3/h4-6,12-14H,7-11H2,1-3H3
InChIKeyQUOHIQKNSSDTOT-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.66
Rot. Bonds5

About 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 133464962) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID133464962
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(CC2CCN(c3nc(C(C)C)no3)CC2)c1
InChIInChI=1S/C18H25N3O2/c1-13(2)17-19-18(23-20-17)21-9-7-14(8-10-21)11-15-5-4-6-16(12-15)22-3/h4-6,12-14H,7-11H2,1-3H3
InChIKeyQUOHIQKNSSDTOT-UHFFFAOYSA-N
XLogP3.66
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
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2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
CID 87664540
CID 87664540
5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 70856291
3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine
CID 68571697
N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide
CID 175223353
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzoic acid
CID 59161816
5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 86662939
3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 141278196
5-[4-(1-butan-2-yloxyethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 155573662

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 133464962) is 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is COc1cccc(CC2CCN(c3nc(C(C)C)no3)CC2)c1.
What is the InChIKey of 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is QUOHIQKNSSDTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)17-19-18(23-20-17)21-9-7-14(8-10-21)11-15-5-4-6-16(12-15)22-3/h4-6,12-14H,7-11H2,1-3H3.
What are the key properties of 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 315.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 133464962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).