2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid

C18H28F3N3O5 — CID 155825299

About 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid

2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155825299) has the molecular formula C18H28F3N3O5 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155825299
• Molecular Formula: C18H28F3N3O5
• Molecular Weight: 423.43 g/mol
• Exact Mass: 423.20
• IUPAC Name: 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CNC(=O)C1COC2(CN(C(=O)CC3CCCC3)C2)CN1C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H27N3O3.C2HF3O2/c1-17-15(21)13-8-22-16(9-18(13)2)10-19(11-16)14(20)7-12-5-3-4-6-12;3-2(4,5)1(6)7/h12-13H,3-11H2,1-2H3,(H,17,21);(H,6,7)
• InChIKey: QATVMEVNCASGNL-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 99.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.43
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155825299) is 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)C1COC2(CN(C(=O)CC3CCCC3)C2)CN1C.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is QATVMEVNCASGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3.C2HF3O2/c1-17-15(21)13-8-22-16(9-18(13)2)10-19(11-16)14(20)7-12-5-3-4-6-12;3-2(4,5)1(6)7/h12-13H,3-11H2,1-2H3,(H,17,21);(H,6,7).

What are the key properties of 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?

2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 423.43 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).