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

C17H18N4O2 — CID 118777346

IUPAC(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3ncon3)CC2)c2ccccc21
InChIInChI=1S/C17H18N4O2/c1-20-10-14(13-4-2-3-5-15(13)20)17(22)21-8-6-12(7-9-21)16-18-11-23-19-16/h2-5,10-12H,6-9H2,1H3
InChIKeyLQOIBCJNMHVFDX-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.58
Rot. Bonds2

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

(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 118777346) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID118777346
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3ncon3)CC2)c2ccccc21
InChIInChI=1S/C17H18N4O2/c1-20-10-14(13-4-2-3-5-15(13)20)17(22)21-8-6-12(7-9-21)16-18-11-23-19-16/h2-5,10-12H,6-9H2,1H3
InChIKeyLQOIBCJNMHVFDX-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

azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 136561531
1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51123650
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
(2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 119073266
N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110255948
(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892044

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 118777346) is (1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC(c3ncon3)CC2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LQOIBCJNMHVFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20-10-14(13-4-2-3-5-15(13)20)17(22)21-8-6-12(7-9-21)16-18-11-23-19-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of (1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(1-methylindol-3-yl)-[4-(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-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118777346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).