cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

C22H29F3N4O4 — CID 155838114

About cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155838114) has the molecular formula C22H29F3N4O4 and a molecular weight of 470.49 g/mol. Its IUPAC name is cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155838114
• Molecular Formula: C22H29F3N4O4
• Molecular Weight: 470.49 g/mol
• Exact Mass: 470.21
• IUPAC Name: cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: COCC1CC2(CCN(C(=O)C3=CCCC3)CC2)CN1c1ncccn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H28N4O2.C2HF3O2/c1-26-14-17-13-20(15-24(17)19-21-9-4-10-22-19)7-11-23(12-8-20)18(25)16-5-2-3-6-16;3-2(4,5)1(6)7/h4-5,9-10,17H,2-3,6-8,11-15H2,1H3;(H,6,7)
• InChIKey: RTICITGFFWUXPX-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 95.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (CID 155838114) is cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is COCC1CC2(CCN(C(=O)C3=CCCC3)CC2)CN1c1ncccn1.O=C(O)C(F)(F)F.

What is the InChIKey of cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is RTICITGFFWUXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.C2HF3O2/c1-26-14-17-13-20(15-24(17)19-21-9-4-10-22-19)7-11-23(12-8-20)18(25)16-5-2-3-6-16;3-2(4,5)1(6)7/h4-5,9-10,17H,2-3,6-8,11-15H2,1H3;(H,6,7).

What are the key properties of cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 470.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenten-1-yl-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).