[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

C19H23N3O2 — CID 95734380

IUPAC[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)C2)no1
InChIInChI=1S/C19H23N3O2/c1-13-20-18(21-24-13)15-8-5-11-22(12-15)19(23)17-10-4-7-14-6-2-3-9-16(14)17/h2-3,6,9,15,17H,4-5,7-8,10-12H2,1H3/t15-,17+/m1/s1
InChIKeyXNARQBNIJSBNQX-WBVHZDCISA-N
MW325.41 g/mol
LogP3.20
Rot. Bonds2

About [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (PubChem CID 95734380) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
PubChem CID95734380
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)C2)no1
InChIInChI=1S/C19H23N3O2/c1-13-20-18(21-24-13)15-8-5-11-22(12-15)19(23)17-10-4-7-14-6-2-3-9-16(14)17/h2-3,6,9,15,17H,4-5,7-8,10-12H2,1H3/t15-,17+/m1/s1
InChIKeyXNARQBNIJSBNQX-WBVHZDCISA-N
XLogP3.20
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95771104
[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 97004266
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734429
[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129427272
[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426974
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426975
[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734396
(3-aminopiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119381033
[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95157079
6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 125163761

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The IUPAC name of [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (CID 95734380) is [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.
What is the SMILES notation for [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The canonical SMILES for [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)C2)no1.
What is the InChIKey of [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The InChIKey is XNARQBNIJSBNQX-WBVHZDCISA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-20-18(21-24-13)15-8-5-11-22(12-15)19(23)17-10-4-7-14-6-2-3-9-16(14)17/h2-3,6,9,15,17H,4-5,7-8,10-12H2,1H3/t15-,17+/m1/s1.
What are the key properties of [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is sourced from PubChem (CID 95734380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).