8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid

C17H20F3N3O4 — CID 155831091

IUPAC8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
SMILESCc1ccncc1C(=O)N1CCC2(CC1)CNC(=O)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N3O2.C2HF3O2/c1-11-2-5-16-9-12(11)14(20)18-6-3-15(4-7-18)8-13(19)17-10-15;3-2(4,5)1(6)7/h2,5,9H,3-4,6-8,10H2,1H3,(H,17,19);(H,6,7)
InChIKeyDDNAGLMIVDXSJK-UHFFFAOYSA-N
MW387.36 g/mol
LogP1.77
Rot. Bonds1

About 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid

8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid (PubChem CID 155831091) has the molecular formula C17H20F3N3O4 and a molecular weight of 387.36 g/mol. Its IUPAC name is 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
PubChem CID155831091
Molecular FormulaC17H20F3N3O4
Molecular Weight387.36 g/mol
Exact Mass387.14
IUPAC Name8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
SMILESCc1ccncc1C(=O)N1CCC2(CC1)CNC(=O)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N3O2.C2HF3O2/c1-11-2-5-16-9-12(11)14(20)18-6-3-15(4-7-18)8-13(19)17-10-15;3-2(4,5)1(6)7/h2,5,9H,3-4,6-8,10H2,1H3,(H,17,19);(H,6,7)
InChIKeyDDNAGLMIVDXSJK-UHFFFAOYSA-N
XLogP1.77
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
2-[2-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]sulfanylpropanoic acid
CID 119185511
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50969847
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 113246543
8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414
N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897132
9-(pyridine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155838295
8-(2-methylbenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155842799
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
CID 110197948
8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone
CID 81226318

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid (CID 155831091) is 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid is Cc1ccncc1C(=O)N1CCC2(CC1)CNC(=O)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is DDNAGLMIVDXSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.C2HF3O2/c1-11-2-5-16-9-12(11)14(20)18-6-3-15(4-7-18)8-13(19)17-10-15;3-2(4,5)1(6)7/h2,5,9H,3-4,6-8,10H2,1H3,(H,17,19);(H,6,7).
What are the key properties of 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 387.36 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).