(1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C23H22N4O2 — CID 71654661

IUPAC(1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCn1ccc2c(C(=O)N3CCC[C@H](c4nc(-c5ccccc5)no4)C3)cccc21
InChIInChI=1S/C23H22N4O2/c1-26-14-12-18-19(10-5-11-20(18)26)23(28)27-13-6-9-17(15-27)22-24-21(25-29-22)16-7-3-2-4-8-16/h2-5,7-8,10-12,14,17H,6,9,13,15H2,1H3/t17-/m0/s1
InChIKeyHIEZTOYPERDXQV-KRWDZBQOSA-N
MW386.46 g/mol
LogP4.25
Rot. Bonds3

About (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 71654661) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID71654661
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCn1ccc2c(C(=O)N3CCC[C@H](c4nc(-c5ccccc5)no4)C3)cccc21
InChIInChI=1S/C23H22N4O2/c1-26-14-12-18-19(10-5-11-20(18)26)23(28)27-13-6-9-17(15-27)22-24-21(25-29-22)16-7-3-2-4-8-16/h2-5,7-8,10-12,14,17H,6,9,13,15H2,1H3/t17-/m0/s1
InChIKeyHIEZTOYPERDXQV-KRWDZBQOSA-N
XLogP4.25
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 71654661) is (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cn1ccc2c(C(=O)N3CCC[C@H](c4nc(-c5ccccc5)no4)C3)cccc21.
What is the InChIKey of (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is HIEZTOYPERDXQV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-14-12-18-19(10-5-11-20(18)26)23(28)27-13-6-9-17(15-27)22-24-21(25-29-22)16-7-3-2-4-8-16/h2-5,7-8,10-12,14,17H,6,9,13,15H2,1H3/t17-/m0/s1.
What are the key properties of (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71654661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).