(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C17H18N4O2 — CID 136561531

IUPAC(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc2c(C(=O)N3CCCC(c4ncon4)C3)cccc21
InChIInChI=1S/C17H18N4O2/c1-20-9-7-13-14(5-2-6-15(13)20)17(22)21-8-3-4-12(10-21)16-18-11-23-19-16/h2,5-7,9,11-12H,3-4,8,10H2,1H3
InChIKeyDOCNKOFJGKBNAR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.58
Rot. Bonds2

About (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 136561531) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID136561531
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc2c(C(=O)N3CCCC(c4ncon4)C3)cccc21
InChIInChI=1S/C17H18N4O2/c1-20-9-7-13-14(5-2-6-15(13)20)17(22)21-8-3-4-12(10-21)16-18-11-23-19-16/h2,5-7,9,11-12H,3-4,8,10H2,1H3
InChIKeyDOCNKOFJGKBNAR-UHFFFAOYSA-N
XLogP2.58
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118777346
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95861103
(8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 126433400
[3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone
CID 136561554
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95779662
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95779663
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588
(3-methylsulfanylphenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892543
(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892044
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
(1-methylindol-4-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 71880141

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 136561531) is (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cn1ccc2c(C(=O)N3CCCC(c4ncon4)C3)cccc21.
What is the InChIKey of (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is DOCNKOFJGKBNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20-9-7-13-14(5-2-6-15(13)20)17(22)21-8-3-4-12(10-21)16-18-11-23-19-16/h2,5-7,9,11-12H,3-4,8,10H2,1H3.
What are the key properties of (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136561531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).