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

C20H34F2N4O3 — CID 153424069

About 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

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 (PubChem CID 153424069) has the molecular formula C20H34F2N4O3 and a molecular weight of 416.51 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 153424069
• Molecular Formula: C20H34F2N4O3
• Molecular Weight: 416.51 g/mol
• Exact Mass: 416.26
• IUPAC Name: 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
• SMILES: COCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CCNC(C(F)F)C3)C2)NO1
• InChI: InChI=1S/C20H34F2N4O3/c1-28-10-17-25-19(26-29-17)12-2-4-14-11(8-12)3-5-15(14)24-20(27)13-6-7-23-16(9-13)18(21)22/h11-19,23,25-26H,2-10H2,1H3,(H,24,27)/t11?,12?,13?,14?,15-,16?,17?,19?/m1/s1
• InChIKey: RLVWCZIUYLLIID-YVJAZRLQSA-N
• XLogP: 1.35
• TPSA: 83.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.51
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CCNC(C(F)F)C3)C2)NO1.

What is the InChIKey of 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?

The InChIKey is RLVWCZIUYLLIID-YVJAZRLQSA-N. The full InChI is InChI=1S/C20H34F2N4O3/c1-28-10-17-25-19(26-29-17)12-2-4-14-11(8-12)3-5-15(14)24-20(27)13-6-7-23-16(9-13)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-(methoxymethyl)-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-(methoxymethyl)-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 416.51 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 153424069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).