4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide

C21H36N4O3 — CID 153424102

IUPAC4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide
SMILESCCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CC(C(C)=O)CCN3)C2)NO1
InChIInChI=1S/C21H36N4O3/c1-3-19-24-20(25-28-19)15-4-6-16-14(10-15)5-7-17(16)23-21(27)18-11-13(12(2)26)8-9-22-18/h13-20,22,24-25H,3-11H2,1-2H3,(H,23,27)/t13?,14?,15?,16?,17-,18?,19?,20?/m1/s1
InChIKeyBMSBJNSZZAHSSK-FLAZHSQTSA-N
MW392.54 g/mol
LogP1.44
Rot. Bonds5

About 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide

4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide (PubChem CID 153424102) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide
PubChem CID153424102
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide
SMILESCCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CC(C(C)=O)CCN3)C2)NO1
InChIInChI=1S/C21H36N4O3/c1-3-19-24-20(25-28-19)15-4-6-16-14(10-15)5-7-17(16)23-21(27)18-11-13(12(2)26)8-9-22-18/h13-20,22,24-25H,3-11H2,1-2H3,(H,23,27)/t13?,14?,15?,16?,17-,18?,19?,20?/m1/s1
InChIKeyBMSBJNSZZAHSSK-FLAZHSQTSA-N
XLogP1.44
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide with MolForge

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Related Compounds

2-(difluoromethyl)-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 153424156
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide
CID 153424151
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methyl-1,3-oxazolidine-2-carboxamide
CID 147742193
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methyl-1,3-diazinane-4-carboxamide
CID 153424105
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide
CID 153424108
2-(difluoromethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 153424069
2-(difluoromethyl)-N-[(1R)-5-(5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 153424206
(1S)-5-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)-N-(2-methylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1-carboxamide
CID 162461365
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-7-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methylpyrazolidine-4-carboxamide
CID 153424093
1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide
CID 153424196
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-7-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methylpyrazolidine-4-carboxamide
CID 153424177
N-(3,5-dimethylcyclohexyl)-4-ethylpiperidine-2-carboxamide
CID 114429133

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide (CID 153424102) is 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide is CCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CC(C(C)=O)CCN3)C2)NO1.
What is the InChIKey of 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide?
The InChIKey is BMSBJNSZZAHSSK-FLAZHSQTSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-3-19-24-20(25-28-19)15-4-6-16-14(10-15)5-7-17(16)23-21(27)18-11-13(12(2)26)8-9-22-18/h13-20,22,24-25H,3-11H2,1-2H3,(H,23,27)/t13?,14?,15?,16?,17-,18?,19?,20?/m1/s1.
What are the key properties of 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide?
4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 1.44, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide is sourced from PubChem (CID 153424102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).