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

C20H25N3O3 — CID 87053136

IUPAC1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCC(OCc2nc(C3CC3)no2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(15-5-3-2-4-6-15)20(24)23-11-9-17(10-12-23)25-13-18-21-19(22-26-18)16-7-8-16/h2-6,14,16-17H,7-13H2,1H3
InChIKeyORJJISBYDSXNPA-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.26
Rot. Bonds6

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

1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 87053136) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID87053136
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCC(OCc2nc(C3CC3)no2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(15-5-3-2-4-6-15)20(24)23-11-9-17(10-12-23)25-13-18-21-19(22-26-18)16-7-8-16/h2-6,14,16-17H,7-13H2,1H3
InChIKeyORJJISBYDSXNPA-UHFFFAOYSA-N
XLogP3.26
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one with MolForge

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Related Compounds

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methylpiperidine-1-carboxamide
CID 163339507
2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
CID 163338975
3-[2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 163338758
(3R)-N-benzyl-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
CID 95990869
(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934036
(2R)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934035
(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
CID 125443249
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 71687010
3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
CID 163339762
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43473114
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 163339418

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one (CID 87053136) is 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one is CC(C(=O)N1CCC(OCc2nc(C3CC3)no2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is ORJJISBYDSXNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(15-5-3-2-4-6-15)20(24)23-11-9-17(10-12-23)25-13-18-21-19(22-26-18)16-7-8-16/h2-6,14,16-17H,7-13H2,1H3.
What are the key properties of 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one?
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 355.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 87053136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).