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

C20H22N4O2 — CID 53191977

IUPAC1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C20H22N4O2/c25-18(11-14-12-21-16-6-2-1-5-15(14)16)24-10-4-3-7-17(24)20-22-19(23-26-20)13-8-9-13/h1-2,5-6,12-13,17,21H,3-4,7-11H2
InChIKeyUEEDUYPFIDPSNR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.72
Rot. Bonds4

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

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 53191977) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID53191977
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C20H22N4O2/c25-18(11-14-12-21-16-6-2-1-5-15(14)16)24-10-4-3-7-17(24)20-22-19(23-26-20)13-8-9-13/h1-2,5-6,12-13,17,21H,3-4,7-11H2
InChIKeyUEEDUYPFIDPSNR-UHFFFAOYSA-N
XLogP3.72
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

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CID 24066854
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(2S)-2-[3-(1-dodecylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
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(2S)-6-methyl-N-[(1S)-1-[5-(1-methylindol-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506662
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(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
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2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 10068921
2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10107953
5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine
CID 10355831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 53191977) is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCCCC1c1nc(C2CC2)no1.
What is the InChIKey of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is UEEDUYPFIDPSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-18(11-14-12-21-16-6-2-1-5-15(14)16)24-10-4-3-7-17(24)20-22-19(23-26-20)13-8-9-13/h1-2,5-6,12-13,17,21H,3-4,7-11H2.
What are the key properties of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 350.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 53191977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).