[3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone

C19H22N4O2 — CID 136570276

IUPAC[3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2nc(Cc3cccc4ccn(C)c34)no2)C1
InChIInChI=1S/C19H22N4O2/c1-13-5-4-9-23(12-13)19(24)18-20-16(21-25-18)11-15-7-3-6-14-8-10-22(2)17(14)15/h3,6-8,10,13H,4-5,9,11-12H2,1-2H3
InChIKeyNUKMTIOBFQKNOD-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.02
Rot. Bonds3

About [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone

[3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 136570276) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID136570276
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2nc(Cc3cccc4ccn(C)c34)no2)C1
InChIInChI=1S/C19H22N4O2/c1-13-5-4-9-23(12-13)19(24)18-20-16(21-25-18)11-15-7-3-6-14-8-10-22(2)17(14)15/h3,6-8,10,13H,4-5,9,11-12H2,1-2H3
InChIKeyNUKMTIOBFQKNOD-UHFFFAOYSA-N
XLogP3.02
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-(1-methylindol-7-yl)methanone
CID 112531045
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
[4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 141338525
[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 25219213
tert-butyl 3-[5-(3-methylpiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate
CID 166210421
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264341
(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110487263
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 136570276) is [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2nc(Cc3cccc4ccn(C)c34)no2)C1.
What is the InChIKey of [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NUKMTIOBFQKNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-5-4-9-23(12-13)19(24)18-20-16(21-25-18)11-15-7-3-6-14-8-10-22(2)17(14)15/h3,6-8,10,13H,4-5,9,11-12H2,1-2H3.
What are the key properties of [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
[3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 136570276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).