1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one

C23H25N3O2 — CID 51120866

IUPAC1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1noc(C2CCCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C23H25N3O2/c1-17-24-23(28-25-17)20-13-8-14-26(16-20)22(27)15-21(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-16H2,1H3
InChIKeyPTYWYIPUZVOWQF-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.31
Rot. Bonds5

About 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 51120866) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID51120866
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1noc(C2CCCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C23H25N3O2/c1-17-24-23(28-25-17)20-13-8-14-26(16-20)22(27)15-21(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-16H2,1H3
InChIKeyPTYWYIPUZVOWQF-UHFFFAOYSA-N
XLogP4.31
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one with MolForge

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Related Compounds

(E)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984699
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylethanone
CID 56540355
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
CID 94800955
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95578538
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119399723
(2R)-N-cyclopropyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 98857991
N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 136578753
3-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119952465

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one (CID 51120866) is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one is Cc1noc(C2CCCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1.
What is the InChIKey of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is PTYWYIPUZVOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-24-23(28-25-17)20-13-8-14-26(16-20)22(27)15-21(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-16H2,1H3.
What are the key properties of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 375.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 51120866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).