3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one

C22H26N4O3 — CID 45215135

IUPAC3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)C1
InChIInChI=1S/C22H26N4O3/c1-2-19(27)15-6-5-11-26(14-15)22(28)10-9-20-24-25-21(29-20)12-16-13-23-18-8-4-3-7-17(16)18/h3-4,7-8,13,15,23H,2,5-6,9-12,14H2,1H3
InChIKeyHQIORZLNVBENKX-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.29
Rot. Bonds7

About 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one

3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one (PubChem CID 45215135) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
PubChem CID45215135
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)C1
InChIInChI=1S/C22H26N4O3/c1-2-19(27)15-6-5-11-26(14-15)22(28)10-9-20-24-25-21(29-20)12-16-13-23-18-8-4-3-7-17(16)18/h3-4,7-8,13,15,23H,2,5-6,9-12,14H2,1H3
InChIKeyHQIORZLNVBENKX-UHFFFAOYSA-N
XLogP3.29
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
CID 126460018
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 26404261
(3R)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816516
(3S)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816519
3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95327617
(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41111390
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41118360

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one (CID 45215135) is 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one is CCC(=O)C1CCCN(C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)C1.
What is the InChIKey of 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The InChIKey is HQIORZLNVBENKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-19(27)15-6-5-11-26(14-15)22(28)10-9-20-24-25-21(29-20)12-16-13-23-18-8-4-3-7-17(16)18/h3-4,7-8,13,15,23H,2,5-6,9-12,14H2,1H3.
What are the key properties of 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one has a molecular weight of 394.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 45215135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).