6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride

C19H24ClNO4 — CID 53304985

IUPAC6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride
SMILESCC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN1CCCCC1.Cl
InChIInChI=1S/C19H23NO4.ClH/c1-13-10-19(22)24-18-12-17(16(14(2)21)11-15(13)18)23-9-8-20-6-4-3-5-7-20;/h10-12H,3-9H2,1-2H3;1H
InChIKeyGQBGBRHBFZOKAE-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.59
Rot. Bonds5

About 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride

6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride (PubChem CID 53304985) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride.

Molecular Properties

Compound Name6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride
PubChem CID53304985
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride
SMILESCC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN1CCCCC1.Cl
InChIInChI=1S/C19H23NO4.ClH/c1-13-10-19(22)24-18-12-17(16(14(2)21)11-15(13)18)23-9-8-20-6-4-3-5-7-20;/h10-12H,3-9H2,1-2H3;1H
InChIKeyGQBGBRHBFZOKAE-UHFFFAOYSA-N
XLogP3.59
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-acetyl-4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one
CID 53304518
6-acetyl-7-[2-[di(propan-2-yl)amino]ethoxy]-4-methylchromen-2-one;hydrochloride
CID 53304679
6-acetyl-7-methoxy-4-methylchromen-2-one
CID 15290605
1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
CID 82971448
8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one
CID 53304519
1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone
CID 3021610
1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride
CID 16736967
5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 115962106
6-chloro-4-methyl-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-2-one
CID 7468971
4-methyl-6,7-dipropoxychromen-2-one
CID 4914961
1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 55244767
4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one
CID 171713983

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride?
The IUPAC name of 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride (CID 53304985) is 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride.
What is the SMILES notation for 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride?
The canonical SMILES for 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride is CC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN1CCCCC1.Cl.
What is the InChIKey of 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride?
The InChIKey is GQBGBRHBFZOKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4.ClH/c1-13-10-19(22)24-18-12-17(16(14(2)21)11-15(13)18)23-9-8-20-6-4-3-5-7-20;/h10-12H,3-9H2,1-2H3;1H.
What are the key properties of 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride?
6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride is sourced from PubChem (CID 53304985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).