3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

C14H23N3O3 — CID 51984688

IUPAC3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCCc1noc(C2CCN(C(=O)CCOC)CC2)n1
InChIInChI=1S/C14H23N3O3/c1-3-4-12-15-14(20-16-12)11-5-8-17(9-6-11)13(18)7-10-19-2/h11H,3-10H2,1-2H3
InChIKeyVXXZAJNMAQCBCF-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.76
Rot. Bonds6

About 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 51984688) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID51984688
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCCc1noc(C2CCN(C(=O)CCOC)CC2)n1
InChIInChI=1S/C14H23N3O3/c1-3-4-12-15-14(20-16-12)11-5-8-17(9-6-11)13(18)7-10-19-2/h11H,3-10H2,1-2H3
InChIKeyVXXZAJNMAQCBCF-UHFFFAOYSA-N
XLogP1.76
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 71801323
(3-methyl-1,2-oxazol-5-yl)-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984864
(4-methylthiadiazol-5-yl)-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984862
4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 71801329
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120853388
1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 120869328
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]nonan-1-one
CID 3941712
3-(4-ethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51092050
3-methoxy-1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92601324
bis(5-(1-methylpiperidin-1-ium-4-yl)-3-propyl-1,2,4-oxadiazole);oxalate
CID 23047521
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51984855

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 51984688) is 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is CCCc1noc(C2CCN(C(=O)CCOC)CC2)n1.
What is the InChIKey of 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VXXZAJNMAQCBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-4-12-15-14(20-16-12)11-5-8-17(9-6-11)13(18)7-10-19-2/h11H,3-10H2,1-2H3.
What are the key properties of 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 281.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51984688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).