(5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C20H24N4O3 — CID 91794700

IUPAC(5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCCC(c4nc(C(C)C)no4)C3)cc2c1
InChIInChI=1S/C20H24N4O3/c1-12(2)18-22-19(27-23-18)13-5-4-8-24(11-13)20(25)17-10-14-9-15(26-3)6-7-16(14)21-17/h6-7,9-10,12-13,21H,4-5,8,11H2,1-3H3
InChIKeyIOWXRZZCWFXENC-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.70
Rot. Bonds4

About (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 91794700) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID91794700
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCCC(c4nc(C(C)C)no4)C3)cc2c1
InChIInChI=1S/C20H24N4O3/c1-12(2)18-22-19(27-23-18)13-5-4-8-24(11-13)20(25)17-10-14-9-15(26-3)6-7-16(14)21-17/h6-7,9-10,12-13,21H,4-5,8,11H2,1-3H3
InChIKeyIOWXRZZCWFXENC-UHFFFAOYSA-N
XLogP3.70
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110119545
(2-bromo-5-methoxyphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098421
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97147629
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 56686165
5-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 90649325
2-(4-methoxyphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121098540
[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 97133718
(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95132649
[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-pyridin-2-ylphenyl)methanone
CID 125173165
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 124754709
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122257934

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 91794700) is (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is COc1ccc2[nH]c(C(=O)N3CCCC(c4nc(C(C)C)no4)C3)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is IOWXRZZCWFXENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12(2)18-22-19(27-23-18)13-5-4-8-24(11-13)20(25)17-10-14-9-15(26-3)6-7-16(14)21-17/h6-7,9-10,12-13,21H,4-5,8,11H2,1-3H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-2-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91794700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).