(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid

C21H29F3N2O6 — CID 118743875

IUPAC(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCOCC3(CCN(C4CCOCC4)C3)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N2O4.C2HF3O2/c1-15-2-3-17(25-15)18(22)21-8-11-24-14-19(13-21)6-7-20(12-19)16-4-9-23-10-5-16;3-2(4,5)1(6)7/h2-3,16H,4-14H2,1H3;(H,6,7)
InChIKeyJCVQCKLMFZQNAR-UHFFFAOYSA-N
MW462.47 g/mol
LogP2.56
Rot. Bonds2

About (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid

(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 118743875) has the molecular formula C21H29F3N2O6 and a molecular weight of 462.47 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID118743875
Molecular FormulaC21H29F3N2O6
Molecular Weight462.47 g/mol
Exact Mass462.20
IUPAC Name(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCOCC3(CCN(C4CCOCC4)C3)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N2O4.C2HF3O2/c1-15-2-3-17(25-15)18(22)21-8-11-24-14-19(13-21)6-7-20(12-19)16-4-9-23-10-5-16;3-2(4,5)1(6)7/h2-3,16H,4-14H2,1H3;(H,6,7)
InChIKeyJCVQCKLMFZQNAR-UHFFFAOYSA-N
XLogP2.56
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472086
[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155845274
(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 118743905
(5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 131658138
10-(oxan-4-yl)-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747233
11-(3-fluoro-2-pyridinyl)-2-(oxan-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155863191
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
CID 155876019
N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide
CID 155871713
1-[2-(oxan-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746383
[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155832394
3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323265
(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155858258

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid (CID 118743875) is (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid is Cc1ccc(C(=O)N2CCOCC3(CCN(C4CCOCC4)C3)C2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is JCVQCKLMFZQNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4.C2HF3O2/c1-15-2-3-17(25-15)18(22)21-8-11-24-14-19(13-21)6-7-20(12-19)16-4-9-23-10-5-16;3-2(4,5)1(6)7/h2-3,16H,4-14H2,1H3;(H,6,7).
What are the key properties of (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid?
(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 462.47 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).