7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one

C18H21NO3 — CID 41180165

IUPAC7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one
SMILESCc1ccc2c(CC(=O)N3CCC[C@@H](C)C3)cc(=O)oc2c1
InChIInChI=1S/C18H21NO3/c1-12-5-6-15-14(10-18(21)22-16(15)8-12)9-17(20)19-7-3-4-13(2)11-19/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyFPWNPWWHUCGFEU-CYBMUJFWSA-N
MW299.37 g/mol
LogP2.90
Rot. Bonds2

About 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one

7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one (PubChem CID 41180165) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one
PubChem CID41180165
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one
SMILESCc1ccc2c(CC(=O)N3CCC[C@@H](C)C3)cc(=O)oc2c1
InChIInChI=1S/C18H21NO3/c1-12-5-6-15-14(10-18(21)22-16(15)8-12)9-17(20)19-7-3-4-13(2)11-19/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyFPWNPWWHUCGFEU-CYBMUJFWSA-N
XLogP2.90
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
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3-(7-methyl-2-oxochromen-4-yl)-2-oxopropanoic acid
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7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one
CID 62547237
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
ethyl (3R)-1-[(7-methyl-2-oxochromen-4-yl)methyl]piperidine-3-carboxylate
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2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
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4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one
CID 41180251
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
(1R,8R,9S)-8-(hydroxymethyl)-11-[2-(7-methyl-2-oxochromen-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one (CID 41180165) is 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one is Cc1ccc2c(CC(=O)N3CCC[C@@H](C)C3)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one?
The InChIKey is FPWNPWWHUCGFEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-5-6-15-14(10-18(21)22-16(15)8-12)9-17(20)19-7-3-4-13(2)11-19/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one?
7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one has a molecular weight of 299.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one is sourced from PubChem (CID 41180165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).