ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

C16H19NO5 — CID 3239688

IUPACethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)c1cc(O)ccc1O2
InChIInChI=1S/C16H19NO5/c1-2-21-15(20)17-7-5-16(6-8-17)10-13(19)12-9-11(18)3-4-14(12)22-16/h3-4,9,18H,2,5-8,10H2,1H3
InChIKeyCWHGNCOAFYTVKF-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.35
Rot. Bonds1

About ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 3239688) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
PubChem CID3239688
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Nameethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)c1cc(O)ccc1O2
InChIInChI=1S/C16H19NO5/c1-2-21-15(20)17-7-5-16(6-8-17)10-13(19)12-9-11(18)3-4-14(12)22-16/h3-4,9,18H,2,5-8,10H2,1H3
InChIKeyCWHGNCOAFYTVKF-UHFFFAOYSA-N
XLogP2.35
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
Sigma-LIGAND-1
CID 9890959
6-(6-Dimethylamino-hexyloxy)-2-phenyl-chromen-4-one
CID 14982953
6-(7-Dimethylamino-heptyloxy)-2-phenyl-chromen-4-one
CID 14982954
6-(8-Dimethylamino-octyloxy)-2-phenyl-chromen-4-one
CID 14982955
6-[6-(3-Hydroxy-piperidin-1-yl)-hexyloxy]-2-phenyl-chromen-4-one
CID 14982961
2-Phenyl-6-(6-piperidin-1-yl-hexyloxy)-chromen-4-one
CID 14982965
6-[6-(4-Methyl-piperidin-1-yl)-hexyloxy]-2-phenyl-chromen-4-one
CID 14982968
6-(6-Diethylamino-hexyloxy)-2-phenyl-chromen-4-one
CID 14982970
6-{6-[(2-Hydroxy-ethyl)-methyl-amino]-hexyloxy}-2-phenyl-chromen-4-one
CID 14982977
2-(3-Fluorophenyl)-6-[6-(4-hydroxypiperidinyl)hexoxy]-4H-1-benzopyran-4-one
CID 14983030
6-[5-(4-Hydroxy-piperidin-1-yl)-pentyloxy]-2-(3-methoxy-phenyl)-chromen-4-one
CID 14983031

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (CID 3239688) is ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)CC(=O)c1cc(O)ccc1O2.
What is the InChIKey of ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is CWHGNCOAFYTVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-2-21-15(20)17-7-5-16(6-8-17)10-13(19)12-9-11(18)3-4-14(12)22-16/h3-4,9,18H,2,5-8,10H2,1H3.
What are the key properties of ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 3239688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).