(2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone

C25H28N4O2 — CID 43926951

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
SMILESCc1ccc(-c2noc(CN3CCC(C(=O)N4c5ccccc5CC4C)CC3)n2)cc1
InChIInChI=1S/C25H28N4O2/c1-17-7-9-19(10-8-17)24-26-23(31-27-24)16-28-13-11-20(12-14-28)25(30)29-18(2)15-21-5-3-4-6-22(21)29/h3-10,18,20H,11-16H2,1-2H3
InChIKeyQRMRRAYZTMJHKH-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.23
Rot. Bonds4

About (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone (PubChem CID 43926951) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
PubChem CID43926951
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
SMILESCc1ccc(-c2noc(CN3CCC(C(=O)N4c5ccccc5CC4C)CC3)n2)cc1
InChIInChI=1S/C25H28N4O2/c1-17-7-9-19(10-8-17)24-26-23(31-27-24)16-28-13-11-20(12-14-28)25(30)29-18(2)15-21-5-3-4-6-22(21)29/h3-10,18,20H,11-16H2,1-2H3
InChIKeyQRMRRAYZTMJHKH-UHFFFAOYSA-N
XLogP4.23
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 43927823
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38141711
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
2,3-dihydroindol-1-yl-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38152302
[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 38147769
N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 38142571
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38142418
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 133244433
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 38115046
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 38141616

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone (CID 43926951) is (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone is Cc1ccc(-c2noc(CN3CCC(C(=O)N4c5ccccc5CC4C)CC3)n2)cc1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone?
The InChIKey is QRMRRAYZTMJHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-7-9-19(10-8-17)24-26-23(31-27-24)16-28-13-11-20(12-14-28)25(30)29-18(2)15-21-5-3-4-6-22(21)29/h3-10,18,20H,11-16H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 43926951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).