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

C20H34F2N4O2 — CID 153424156

IUPAC2-(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
SMILESCCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CCNC(C(F)F)C3)C2)NO1
InChIInChI=1S/C20H34F2N4O2/c1-2-17-25-19(26-28-17)12-3-5-14-11(9-12)4-6-15(14)24-20(27)13-7-8-23-16(10-13)18(21)22/h11-19,23,25-26H,2-10H2,1H3,(H,24,27)/t11?,12?,13?,14?,15-,16?,17?,19?/m1/s1
InChIKeyUKZKPNOQGSCVFN-YVJAZRLQSA-N
MW400.51 g/mol
LogP2.12
Rot. Bonds5

About 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

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 (PubChem CID 153424156) has the molecular formula C20H34F2N4O2 and a molecular weight of 400.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID153424156
Molecular FormulaC20H34F2N4O2
Molecular Weight400.51 g/mol
Exact Mass400.26
IUPAC Name2-(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
SMILESCCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CCNC(C(F)F)C3)C2)NO1
InChIInChI=1S/C20H34F2N4O2/c1-2-17-25-19(26-28-17)12-3-5-14-11(9-12)4-6-15(14)24-20(27)13-7-8-23-16(10-13)18(21)22/h11-19,23,25-26H,2-10H2,1H3,(H,24,27)/t11?,12?,13?,14?,15-,16?,17?,19?/m1/s1
InChIKeyUKZKPNOQGSCVFN-YVJAZRLQSA-N
XLogP2.12
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-[(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
(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
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
2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide
CID 153195075

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CCNC(C(F)F)C3)C2)NO1.
What is the InChIKey of 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?
The InChIKey is UKZKPNOQGSCVFN-YVJAZRLQSA-N. The full InChI is InChI=1S/C20H34F2N4O2/c1-2-17-25-19(26-28-17)12-3-5-14-11(9-12)4-6-15(14)24-20(27)13-7-8-23-16(10-13)18(21)22/h11-19,23,25-26H,2-10H2,1H3,(H,24,27)/t11?,12?,13?,14?,15-,16?,17?,19?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 400.51 g/mol, XLogP of 2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153424156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).