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

C19H32F2N4O2 — CID 153424206

About 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

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 (PubChem CID 153424206) has the molecular formula C19H32F2N4O2 and a molecular weight of 386.49 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 153424206
• Molecular Formula: C19H32F2N4O2
• Molecular Weight: 386.49 g/mol
• Exact Mass: 386.25
• IUPAC Name: 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
• SMILES: CC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CCNC(C(F)F)C3)C2)NO1
• InChI: InChI=1S/C19H32F2N4O2/c1-10-23-18(25-27-10)12-2-4-14-11(8-12)3-5-15(14)24-19(26)13-6-7-22-16(9-13)17(20)21/h10-18,22-23,25H,2-9H2,1H3,(H,24,26)/t10?,11?,12?,13?,14?,15-,16?,18?/m1/s1
• InChIKey: JLHZUXSMABAPRC-VIJGUNQNSA-N
• XLogP: 1.73
• TPSA: 74.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.49
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CCNC(C(F)F)C3)C2)NO1.

What is the InChIKey of 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?

The InChIKey is JLHZUXSMABAPRC-VIJGUNQNSA-N. The full InChI is InChI=1S/C19H32F2N4O2/c1-10-23-18(25-27-10)12-2-4-14-11(8-12)3-5-15(14)24-19(26)13-6-7-22-16(9-13)17(20)21/h10-18,22-23,25H,2-9H2,1H3,(H,24,26)/t10?,11?,12?,13?,14?,15-,16?,18?/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 386.49 g/mol, XLogP of 1.73, 4 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-methyl-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 153424206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).