N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid

C20H26F4N2O5 — CID 118743999

IUPACN-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NC1CC2(CCN(CCF)CC2)Oc2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25FN2O3.C2HF3O2/c1-23-13-17(22)20-15-12-18(6-9-21(10-7-18)11-8-19)24-16-5-3-2-4-14(15)16;3-2(4,5)1(6)7/h2-5,15H,6-13H2,1H3,(H,20,22);(H,6,7)
InChIKeyKNCZJKQPGPLPOB-UHFFFAOYSA-N
MW450.43 g/mol
LogP2.71
Rot. Bonds5

About N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid

N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid (PubChem CID 118743999) has the molecular formula C20H26F4N2O5 and a molecular weight of 450.43 g/mol. Its IUPAC name is N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
PubChem CID118743999
Molecular FormulaC20H26F4N2O5
Molecular Weight450.43 g/mol
Exact Mass450.18
IUPAC NameN-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NC1CC2(CCN(CCF)CC2)Oc2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25FN2O3.C2HF3O2/c1-23-13-17(22)20-15-12-18(6-9-21(10-7-18)11-8-19)24-16-5-3-2-4-14(15)16;3-2(4,5)1(6)7/h2-5,15H,6-13H2,1H3,(H,20,22);(H,6,7)
InChIKeyKNCZJKQPGPLPOB-UHFFFAOYSA-N
XLogP2.71
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
2-phenyl-N-(1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)acetamide;2,2,2-trifluoroacetic acid
CID 155865896
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155841808
2-(4-methyl-1,4-diazepan-1-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 125155552
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155842764
N-methyl-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711983
N-(cyclopropylmethyl)-2-[1'-[(4-methoxyphenyl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155845289
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
N-methyl-2-[1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155847773
2-[1'-[(4-methoxyphenyl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155825340

Frequently Asked Questions

What is the IUPAC name of N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid (CID 118743999) is N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid is COCC(=O)NC1CC2(CCN(CCF)CC2)Oc2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is KNCZJKQPGPLPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3.C2HF3O2/c1-23-13-17(22)20-15-12-18(6-9-21(10-7-18)11-8-19)24-16-5-3-2-4-14(15)16;3-2(4,5)1(6)7/h2-5,15H,6-13H2,1H3,(H,20,22);(H,6,7).
What are the key properties of N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 450.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).