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

C19H22N4O2 — CID 71933432

IUPAC1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nc(CC2CCCN(CC(=O)c3c[nH]c4ccccc34)C2)no1
InChIInChI=1S/C19H22N4O2/c1-13-21-19(22-25-13)9-14-5-4-8-23(11-14)12-18(24)16-10-20-17-7-3-2-6-15(16)17/h2-3,6-7,10,14,20H,4-5,8-9,11-12H2,1H3
InChIKeyZCVUUKAMLOLSHC-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.00
Rot. Bonds5

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

1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 71933432) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
PubChem CID71933432
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nc(CC2CCCN(CC(=O)c3c[nH]c4ccccc34)C2)no1
InChIInChI=1S/C19H22N4O2/c1-13-21-19(22-25-13)9-14-5-4-8-23(11-14)12-18(24)16-10-20-17-7-3-2-6-15(16)17/h2-3,6-7,10,14,20H,4-5,8-9,11-12H2,1H3
InChIKeyZCVUUKAMLOLSHC-UHFFFAOYSA-N
XLogP3.00
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 17428236
3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981550
1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 97316201
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591759
(3R)-N-(5-fluoro-2-pyridinyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 99597501
(3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 125444272

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone (CID 71933432) is 1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone is Cc1nc(CC2CCCN(CC(=O)c3c[nH]c4ccccc34)C2)no1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is ZCVUUKAMLOLSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-21-19(22-25-13)9-14-5-4-8-23(11-14)12-18(24)16-10-20-17-7-3-2-6-15(16)17/h2-3,6-7,10,14,20H,4-5,8-9,11-12H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone?
1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71933432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).