methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate

C15H21N3O3 — CID 158752770

IUPACmethyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)C[C@H](N)c1nc(C)ccc1O2
InChIInChI=1S/C15H21N3O3/c1-10-3-4-12-13(17-10)11(16)9-15(21-12)5-7-18(8-6-15)14(19)20-2/h3-4,11H,5-9,16H2,1-2H3/t11-/m0/s1
InChIKeyINRNODBXHAIRQC-NSHDSACASA-N
MW291.35 g/mol
LogP1.77
Rot. Bonds

About methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate

methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate (PubChem CID 158752770) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
PubChem CID158752770
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)C[C@H](N)c1nc(C)ccc1O2
InChIInChI=1S/C15H21N3O3/c1-10-3-4-12-13(17-10)11(16)9-15(21-12)5-7-18(8-6-15)14(19)20-2/h3-4,11H,5-9,16H2,1-2H3/t11-/m0/s1
InChIKeyINRNODBXHAIRQC-NSHDSACASA-N
XLogP1.77
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate with MolForge

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Related Compounds

ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556
methyl (4S)-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 153495831
N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376657
tert-butyl (4S)-4-(2-ethoxy-2-oxoethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 86334777
ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 146633824
methyl (4S)-6-bromo-4-(1H-indazol-7-ylsulfinylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 147372178
ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 137386203
N-cyclopropyl-2-[1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131661571
ethyl 4-[(1-methylindole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509505
methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 84668362
methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate
CID 133385760
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate (CID 158752770) is methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate is COC(=O)N1CCC2(CC1)C[C@H](N)c1nc(C)ccc1O2.
What is the InChIKey of methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The InChIKey is INRNODBXHAIRQC-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-3-4-12-13(17-10)11(16)9-15(21-12)5-7-18(8-6-15)14(19)20-2/h3-4,11H,5-9,16H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-amino-6-methylspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 158752770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).