2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride

C20H28ClN3O3 — CID 24832216

IUPAC2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1c(N2CCCCC2)c2ccccc2oc1=O.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-3-22(4-2)14-17(24)21-18-19(23-12-8-5-9-13-23)15-10-6-7-11-16(15)26-20(18)25;/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H,21,24);1H
InChIKeyCUKVDAUOEGSLNA-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.49
Rot. Bonds6

About 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride

2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride (PubChem CID 24832216) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride
PubChem CID24832216
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1c(N2CCCCC2)c2ccccc2oc1=O.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-3-22(4-2)14-17(24)21-18-19(23-12-8-5-9-13-23)15-10-6-7-11-16(15)26-20(18)25;/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H,21,24);1H
InChIKeyCUKVDAUOEGSLNA-UHFFFAOYSA-N
XLogP3.49
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
CID 2817011
4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778807
4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778740
3-chloro-4-methyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778713
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
2,5-dimethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778716
5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide
CID 50778768
piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone
CID 779278
4-bromo-2-methyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778841
CID 89442401
CID 89442401

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride (CID 24832216) is 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride is CCN(CC)CC(=O)Nc1c(N2CCCCC2)c2ccccc2oc1=O.Cl.
What is the InChIKey of 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride?
The InChIKey is CUKVDAUOEGSLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-3-22(4-2)14-17(24)21-18-19(23-12-8-5-9-13-23)15-10-6-7-11-16(15)26-20(18)25;/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H,21,24);1H.
What are the key properties of 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride?
2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 24832216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).