N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide

C16H14N2O6 — CID 146129250

IUPACN-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCC(=O)NC3=O)c(=O)oc12
InChIInChI=1S/C16H14N2O6/c1-23-11-4-2-3-8-7-9(16(22)24-13(8)11)14(20)17-10-5-6-12(19)18-15(10)21/h2-4,7,10H,5-6H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyQEHOTCSZQHZIIC-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.34
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide

N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 146129250) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID146129250
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCC(=O)NC3=O)c(=O)oc12
InChIInChI=1S/C16H14N2O6/c1-23-11-4-2-3-8-7-9(16(22)24-13(8)11)14(20)17-10-5-6-12(19)18-15(10)21/h2-4,7,10H,5-6H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyQEHOTCSZQHZIIC-UHFFFAOYSA-N
XLogP0.34
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 75280616
8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide
CID 75280116
N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 154810863
4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide
CID 156551077
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
8-methoxy-2-oxochromene-3-carboxamide;methylthiourea
CID 21235892
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide
CID 156745010

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide (CID 146129250) is N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)NC3CCC(=O)NC3=O)c(=O)oc12.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is QEHOTCSZQHZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-23-11-4-2-3-8-7-9(16(22)24-13(8)11)14(20)17-10-5-6-12(19)18-15(10)21/h2-4,7,10H,5-6H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 330.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 146129250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).