6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one

C16H18N2O3 — CID 28921

IUPAC6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one
SMILESNc1ccc2oc(=O)c(CC(=O)N3CCCCC3)cc2c1
InChIInChI=1S/C16H18N2O3/c17-13-4-5-14-11(9-13)8-12(16(20)21-14)10-15(19)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,10,17H2
InChIKeyBMYCFOKWCXDLQE-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.93
Rot. Bonds2

About 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one

6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one (PubChem CID 28921) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one.

Molecular Properties

Compound Name6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one
PubChem CID28921
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one
SMILESNc1ccc2oc(=O)c(CC(=O)N3CCCCC3)cc2c1
InChIInChI=1S/C16H18N2O3/c17-13-4-5-14-11(9-13)8-12(16(20)21-14)10-15(19)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,10,17H2
InChIKeyBMYCFOKWCXDLQE-UHFFFAOYSA-N
XLogP1.93
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
CID 82547452
2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone
CID 69337142
4-(5-amino-1-benzofuran-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888084
[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
CID 102538189
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-1-(azepan-1-yl)ethanone
CID 94761011
(5-amino-1-benzofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283899
2-(5-fluoro-1-benzofuran-3-yl)-1-piperidin-1-ylethanone
CID 110488716
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
2-(4-aminophenyl)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119836881
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]chromen-2-one
CID 35610527
1-(azetidin-1-yl)-2-(3,4-diaminophenyl)ethanone
CID 54082676

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one?
The IUPAC name of 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one (CID 28921) is 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one.
What is the SMILES notation for 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one?
The canonical SMILES for 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one is Nc1ccc2oc(=O)c(CC(=O)N3CCCCC3)cc2c1.
What is the InChIKey of 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one?
The InChIKey is BMYCFOKWCXDLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-13-4-5-14-11(9-13)8-12(16(20)21-14)10-15(19)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,10,17H2.
What are the key properties of 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one?
6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one has a molecular weight of 286.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one is sourced from PubChem (CID 28921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).