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

C23H22N4O2 — CID 50831443

IUPAC1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2nc(C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)no2)c1
InChIInChI=1S/C23H22N4O2/c1-15-5-4-7-18(13-15)22-25-21(26-29-22)16-9-11-27(12-10-16)23(28)20-14-17-6-2-3-8-19(17)24-20/h2-8,13-14,16,24H,9-12H2,1H3
InChIKeyFROSWLZTGMMLQI-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.55
Rot. Bonds3

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

1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 50831443) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID50831443
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2nc(C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)no2)c1
InChIInChI=1S/C23H22N4O2/c1-15-5-4-7-18(13-15)22-25-21(26-29-22)16-9-11-27(12-10-16)23(28)20-14-17-6-2-3-8-19(17)24-20/h2-8,13-14,16,24H,9-12H2,1H3
InChIKeyFROSWLZTGMMLQI-UHFFFAOYSA-N
XLogP4.55
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 46389300
[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 124759258
(E)-3-(4-methylphenyl)-1-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 46389295
(2,4-dimethylphenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121824
1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 128973663
N-[4-[5-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53013369
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 90543016
3-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 53130697
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 50831443) is 1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is Cc1cccc(-c2nc(C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)no2)c1.
What is the InChIKey of 1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is FROSWLZTGMMLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-5-4-7-18(13-15)22-25-21(26-29-22)16-9-11-27(12-10-16)23(28)20-14-17-6-2-3-8-19(17)24-20/h2-8,13-14,16,24H,9-12H2,1H3.
What are the key properties of 1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50831443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).