[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate

C19H21NO5 — CID 4148985

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H21NO5/c1-2-13-7-5-6-10-20(13)18(22)12-24-19(23)17-11-15(21)14-8-3-4-9-16(14)25-17/h3-4,8-9,11,13H,2,5-7,10,12H2,1H3
InChIKeyXHTWQFOPERHJMX-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.74
Rot. Bonds4

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 4148985) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID4148985
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H21NO5/c1-2-13-7-5-6-10-20(13)18(22)12-24-19(23)17-11-15(21)14-8-3-4-9-16(14)25-17/h3-4,8-9,11,13H,2,5-7,10,12H2,1H3
InChIKeyXHTWQFOPERHJMX-UHFFFAOYSA-N
XLogP2.74
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2433745
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 7203935
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 7968395
[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 55397085
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid
CID 119137743
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 23904804
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 7842559
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 40775940
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55304080
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133637
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204309

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 4148985) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate is CCC1CCCCN1C(=O)COC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is XHTWQFOPERHJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-2-13-7-5-6-10-20(13)18(22)12-24-19(23)17-11-15(21)14-8-3-4-9-16(14)25-17/h3-4,8-9,11,13H,2,5-7,10,12H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 4148985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).