1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one

C21H29N3O3 — CID 55712375

IUPAC1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCC(C)c1noc(CCCC(=O)N2CCC(OCc3ccccc3)CC2)n1
InChIInChI=1S/C21H29N3O3/c1-16(2)21-22-19(27-23-21)9-6-10-20(25)24-13-11-18(12-14-24)26-15-17-7-4-3-5-8-17/h3-5,7-8,16,18H,6,9-15H2,1-2H3
InChIKeyZAXJFCDGORAWPU-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.72
Rot. Bonds8

About 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one

1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 55712375) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID55712375
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCC(C)c1noc(CCCC(=O)N2CCC(OCc3ccccc3)CC2)n1
InChIInChI=1S/C21H29N3O3/c1-16(2)21-22-19(27-23-21)9-6-10-20(25)24-13-11-18(12-14-24)26-15-17-7-4-3-5-8-17/h3-5,7-8,16,18H,6,9-15H2,1-2H3
InChIKeyZAXJFCDGORAWPU-UHFFFAOYSA-N
XLogP3.72
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one with MolForge

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Related Compounds

3-[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 55789017
1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623292
4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
CID 55773001
2-phenyl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 175667258
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 55670430
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 95312178
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 119623261
1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70707923
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744688
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol
CID 113414322
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95583677

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 55712375) is 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one is CC(C)c1noc(CCCC(=O)N2CCC(OCc3ccccc3)CC2)n1.
What is the InChIKey of 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is ZAXJFCDGORAWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16(2)21-22-19(27-23-21)9-6-10-20(25)24-13-11-18(12-14-24)26-15-17-7-4-3-5-8-17/h3-5,7-8,16,18H,6,9-15H2,1-2H3.
What are the key properties of 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 371.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 55712375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).