2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C19H23N3O2 — CID 94526775

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1noc([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)n1
InChIInChI=1S/C19H23N3O2/c1-13-20-19(24-21-13)17-6-3-9-22(12-17)18(23)11-14-7-8-15-4-2-5-16(15)10-14/h7-8,10,17H,2-6,9,11-12H2,1H3/t17-/m1/s1
InChIKeyYDHBXIZRZGQDLF-QGZVFWFLSA-N
MW325.41 g/mol
LogP2.82
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 94526775) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID94526775
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1noc([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)n1
InChIInChI=1S/C19H23N3O2/c1-13-20-19(24-21-13)17-6-3-9-22(12-17)18(23)11-14-7-8-15-4-2-5-16(15)10-14/h7-8,10,17H,2-6,9,11-12H2,1H3/t17-/m1/s1
InChIKeyYDHBXIZRZGQDLF-QGZVFWFLSA-N
XLogP2.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 126788774
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 175652303
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
(E)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984699
1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110114925
1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95578538
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 94526775) is 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is Cc1noc([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is YDHBXIZRZGQDLF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-20-19(24-21-13)17-6-3-9-22(12-17)18(23)11-14-7-8-15-4-2-5-16(15)10-14/h7-8,10,17H,2-6,9,11-12H2,1H3/t17-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 94526775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).