9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid

C15H18F3N3O4 — CID 118743066

IUPAC9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1COC2(CCN(c3ccccn3)CC2)CN1
InChIInChI=1S/C13H17N3O2.C2HF3O2/c17-12-9-18-13(10-15-12)4-7-16(8-5-13)11-3-1-2-6-14-11;3-2(4,5)1(6)7/h1-3,6H,4-5,7-10H2,(H,15,17);(H,6,7)
InChIKeyKFVBLKVDYSHRMO-UHFFFAOYSA-N
MW361.32 g/mol
LogP1.20
Rot. Bonds1

About 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid

9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid (PubChem CID 118743066) has the molecular formula C15H18F3N3O4 and a molecular weight of 361.32 g/mol. Its IUPAC name is 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
PubChem CID118743066
Molecular FormulaC15H18F3N3O4
Molecular Weight361.32 g/mol
Exact Mass361.12
IUPAC Name9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1COC2(CCN(c3ccccn3)CC2)CN1
InChIInChI=1S/C13H17N3O2.C2HF3O2/c17-12-9-18-13(10-15-12)4-7-16(8-5-13)11-3-1-2-6-14-11;3-2(4,5)1(6)7/h1-3,6H,4-5,7-10H2,(H,15,17);(H,6,7)
InChIKeyKFVBLKVDYSHRMO-UHFFFAOYSA-N
XLogP1.20
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-Methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562402
[2-(Benzylamino)-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 9104642
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 25162566
N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305854
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxy-1-[4-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 153682114
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxy-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 153682115
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16278366
[2-Oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 45353519
2-[2-Oxo-2-(pyridin-2-ylamino)ethoxy]acetic acid
CID 2737830
2-Methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3232770
[2-(Cyclohexylamino)-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 9103882
[2-Oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 24981210

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid (CID 118743066) is 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1COC2(CCN(c3ccccn3)CC2)CN1.
What is the InChIKey of 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is KFVBLKVDYSHRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.C2HF3O2/c17-12-9-18-13(10-15-12)4-7-16(8-5-13)11-3-1-2-6-14-11;3-2(4,5)1(6)7/h1-3,6H,4-5,7-10H2,(H,15,17);(H,6,7).
What are the key properties of 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid?
9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 361.32 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).