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

C16H25N3O4 — CID 95734338

IUPAC1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
SMILESCc1nc([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)no1
InChIInChI=1S/C16H25N3O4/c1-12-17-16(18-23-12)13-4-2-7-19(10-13)15(20)6-9-21-11-14-5-3-8-22-14/h13-14H,2-11H2,1H3/t13-,14-/m1/s1
InChIKeySOHKCFFAGFRQSU-ZIAGYGMSSA-N
MW323.39 g/mol
LogP1.67
Rot. Bonds6

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

1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one (PubChem CID 95734338) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
PubChem CID95734338
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
SMILESCc1nc([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)no1
InChIInChI=1S/C16H25N3O4/c1-12-17-16(18-23-12)13-4-2-7-19(10-13)15(20)6-9-21-11-14-5-3-8-22-14/h13-14H,2-11H2,1H3/t13-,14-/m1/s1
InChIKeySOHKCFFAGFRQSU-ZIAGYGMSSA-N
XLogP1.67
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 95734342
1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 95778958
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95779059
4-[3-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-oxopropyl]benzonitrile
CID 95734419
3-[2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 86286497
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95734457
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95769931
3-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734417
1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95762384
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
The IUPAC name of 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one (CID 95734338) is 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
The canonical SMILES for 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one is Cc1nc([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)no1.
What is the InChIKey of 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
The InChIKey is SOHKCFFAGFRQSU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-12-17-16(18-23-12)13-4-2-7-19(10-13)15(20)6-9-21-11-14-5-3-8-22-14/h13-14H,2-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one has a molecular weight of 323.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one is sourced from PubChem (CID 95734338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).