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

C23H34F3N3O4 — CID 155830802

IUPAC[8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(C3CCCC3)CC2)CN1C(=O)c1cccn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C21H33N3O2.C2HF3O2/c1-22-11-5-8-19(22)20(25)24-16-21(14-18(24)15-26-2)9-12-23(13-10-21)17-6-3-4-7-17;3-2(4,5)1(6)7/h5,8,11,17-18H,3-4,6-7,9-10,12-16H2,1-2H3;(H,6,7)
InChIKeyJYOFIHFQYIVFLZ-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.54
Rot. Bonds4

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

[8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155830802) has the molecular formula C23H34F3N3O4 and a molecular weight of 473.54 g/mol. Its IUPAC name is [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155830802
Molecular FormulaC23H34F3N3O4
Molecular Weight473.54 g/mol
Exact Mass473.25
IUPAC Name[8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(C3CCCC3)CC2)CN1C(=O)c1cccn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C21H33N3O2.C2HF3O2/c1-22-11-5-8-19(22)20(25)24-16-21(14-18(24)15-26-2)9-12-23(13-10-21)17-6-3-4-7-17;3-2(4,5)1(6)7/h5,8,11,17-18H,3-4,6-7,9-10,12-16H2,1-2H3;(H,6,7)
InChIKeyJYOFIHFQYIVFLZ-UHFFFAOYSA-N
XLogP3.54
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155830802) is [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid is COCC1CC2(CCN(C3CCCC3)CC2)CN1C(=O)c1cccn1C.O=C(O)C(F)(F)F.
What is the InChIKey of [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is JYOFIHFQYIVFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.C2HF3O2/c1-22-11-5-8-19(22)20(25)24-16-21(14-18(24)15-26-2)9-12-23(13-10-21)17-6-3-4-7-17;3-2(4,5)1(6)7/h5,8,11,17-18H,3-4,6-7,9-10,12-16H2,1-2H3;(H,6,7).
What are the key properties of [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
[8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 473.54 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).