N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C22H23F3N4O5 — CID 155842764

IUPACN-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC2(CC1)CC(NC(=O)c1cnccn1)c1ccccc1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N4O3.C2HF3O2/c1-14(25)24-10-6-20(7-11-24)12-16(15-4-2-3-5-18(15)27-20)23-19(26)17-13-21-8-9-22-17;3-2(4,5)1(6)7/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,23,26);(H,6,7)
InChIKeyNJLWLPJSLIKGJB-UHFFFAOYSA-N
MW480.44 g/mol
LogP2.74
Rot. Bonds2

About N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155842764) has the molecular formula C22H23F3N4O5 and a molecular weight of 480.44 g/mol. Its IUPAC name is N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155842764
Molecular FormulaC22H23F3N4O5
Molecular Weight480.44 g/mol
Exact Mass480.16
IUPAC NameN-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC2(CC1)CC(NC(=O)c1cnccn1)c1ccccc1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N4O3.C2HF3O2/c1-14(25)24-10-6-20(7-11-24)12-16(15-4-2-3-5-18(15)27-20)23-19(26)17-13-21-8-9-22-17;3-2(4,5)1(6)7/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,23,26);(H,6,7)
InChIKeyNJLWLPJSLIKGJB-UHFFFAOYSA-N
XLogP2.74
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide
CID 97401005
2-phenyl-N-(1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)acetamide;2,2,2-trifluoroacetic acid
CID 155865896
N-(2-methylpropyl)-2-[(4R)-1'-(pyrazine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376654
N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155847775
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
CID 131652686
N-[1'-(2-fluoroethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 118743999
N-[(5R,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855812
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide
CID 97401003
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
2-[1'-(2-ethylbutanoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-pyridin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 155844243
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200

Frequently Asked Questions

What is the IUPAC name of N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155842764) is N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is CC(=O)N1CCC2(CC1)CC(NC(=O)c1cnccn1)c1ccccc1O2.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NJLWLPJSLIKGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.C2HF3O2/c1-14(25)24-10-6-20(7-11-24)12-16(15-4-2-3-5-18(15)27-20)23-19(26)17-13-21-8-9-22-17;3-2(4,5)1(6)7/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,23,26);(H,6,7).
What are the key properties of N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 480.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).