4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid

C12H19F3N2O3 — CID 155226429

IUPAC4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
SMILESCCC1C(=O)NCC12CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c1-2-8-9(13)12-7-10(8)3-5-11-6-4-10;3-2(4,5)1(6)7/h8,11H,2-7H2,1H3,(H,12,13);(H,6,7)
InChIKeyPORMWGJQJXHZQP-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.15
Rot. Bonds1

About 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid

4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid (PubChem CID 155226429) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
PubChem CID155226429
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
SMILESCCC1C(=O)NCC12CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c1-2-8-9(13)12-7-10(8)3-5-11-6-4-10;3-2(4,5)1(6)7/h8,11H,2-7H2,1H3,(H,12,13);(H,6,7)
InChIKeyPORMWGJQJXHZQP-UHFFFAOYSA-N
XLogP1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

9-Acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one;2,2,2-trifluoroacetic acid
CID 118742202
13-(Cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one;bis(2,2,2-trifluoroacetic acid)
CID 118745550
2,9-Diazaspiro[5.5]undecan-1-one trifluoroacetate
CID 46861535
6-Fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 118385709
2-Piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid
CID 126522186
(1R,5S)-N,N-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 137360483
1,2-Diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 137362400
N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155346892
2,9-Diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 160560664
N-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 171925959
N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 172756874
(1S,5R)-N-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 175855139

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid (CID 155226429) is 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid is CCC1C(=O)NCC12CCNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is PORMWGJQJXHZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2HF3O2/c1-2-8-9(13)12-7-10(8)3-5-11-6-4-10;3-2(4,5)1(6)7/h8,11H,2-7H2,1H3,(H,12,13);(H,6,7).
What are the key properties of 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 296.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155226429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).