N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

C21H26N4O3 — CID 131894768

IUPACN-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1nonc1CC(=O)N1CCC(CNC(=O)C2CCc3ccccc32)CC1
InChIInChI=1S/C21H26N4O3/c1-14-19(24-28-23-14)12-20(26)25-10-8-15(9-11-25)13-22-21(27)18-7-6-16-4-2-3-5-17(16)18/h2-5,15,18H,6-13H2,1H3,(H,22,27)
InChIKeyGJTBJFZNELZCOK-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.01
Rot. Bonds5

About N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 131894768) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID131894768
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1nonc1CC(=O)N1CCC(CNC(=O)C2CCc3ccccc32)CC1
InChIInChI=1S/C21H26N4O3/c1-14-19(24-28-23-14)12-20(26)25-10-8-15(9-11-25)13-22-21(27)18-7-6-16-4-2-3-5-17(16)18/h2-5,15,18H,6-13H2,1H3,(H,22,27)
InChIKeyGJTBJFZNELZCOK-UHFFFAOYSA-N
XLogP2.01
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 91761714
ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
CID 99939190
N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 131923524
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26392970
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(2-oxa-6-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-6-yl)ethanone
CID 155994973
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 122559408
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 77080783
(3R,4S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166299598
1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125002794
1-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125002793
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260755

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 131894768) is N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is Cc1nonc1CC(=O)N1CCC(CNC(=O)C2CCc3ccccc32)CC1.
What is the InChIKey of N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is GJTBJFZNELZCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-19(24-28-23-14)12-20(26)25-10-8-15(9-11-25)13-22-21(27)18-7-6-16-4-2-3-5-17(16)18/h2-5,15,18H,6-13H2,1H3,(H,22,27).
What are the key properties of N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 131894768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).