ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

C26H29N3O4 — CID 142509505

IUPACethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3ccn(C)c13)c1ccccc1O2
InChIInChI=1S/C26H29N3O4/c1-3-32-25(31)29-15-12-26(13-16-29)17-21(19-8-4-5-10-22(19)33-26)27-24(30)20-9-6-7-18-11-14-28(2)23(18)20/h4-11,14,21H,3,12-13,15-17H2,1-2H3,(H,27,30)
InChIKeyAGOFLNSLSYNRPA-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.42
Rot. Bonds3

About ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 142509505) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
PubChem CID142509505
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Nameethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3ccn(C)c13)c1ccccc1O2
InChIInChI=1S/C26H29N3O4/c1-3-32-25(31)29-15-12-26(13-16-29)17-21(19-8-4-5-10-22(19)33-26)27-24(30)20-9-6-7-18-11-14-28(2)23(18)20/h4-11,14,21H,3,12-13,15-17H2,1-2H3,(H,27,30)
InChIKeyAGOFLNSLSYNRPA-UHFFFAOYSA-N
XLogP4.42
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-amino-3-(2-methylbut-1-enyl)benzoyl]amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509515
methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 153495831
ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556
ethyl 6-bromo-4-[(2-ethyl-1H-indole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386121
ethyl (4S)-6-ethyl-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 155540941
ethyl 6-bromo-4-[[2-(dihydroxyphosphanyloxymethyl)indazole-7-carbonyl]amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386111
ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 137386203
2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
CID 146585142
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (CID 142509505) is ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3ccn(C)c13)c1ccccc1O2.
What is the InChIKey of ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is AGOFLNSLSYNRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-3-32-25(31)29-15-12-26(13-16-29)17-21(19-8-4-5-10-22(19)33-26)27-24(30)20-9-6-7-18-11-14-28(2)23(18)20/h4-11,14,21H,3,12-13,15-17H2,1-2H3,(H,27,30).
What are the key properties of ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 447.54 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 142509505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).