2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

C24H25NO4 — CID 3354

💊View drug profile → flavoxate
IUPAC2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
InChIInChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
InChIKeySPIUTQOUKAMGCX-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.41
Rot. Bonds5

About 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (PubChem CID 3354) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
PubChem CID3354
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
InChIInChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
InChIKeySPIUTQOUKAMGCX-UHFFFAOYSA-N
XLogP4.41
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-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-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
CID 3973
Flavoxate Hydrochloride
CID 441345
Etafenone
CID 3275
2-Morpholin-4-yl-8-phenylchromen-4-one;hydrochloride
CID 11957589
Pitofenone
CID 121098
1-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenyl-, hydrochloride (1:1)
CID 102220
8-(4-Acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate
CID 55750
Terflavoxate
CID 135750
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
6,6-Bis(3-methyl-4-methoxy-5-methoxycarbonylphenyl)-1-piperidylhex-5-en-1-one
CID 503132
2-morpholino-8-(2-phenylethynyl)-4H-chromen-4-one
CID 10359339

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (CID 3354) is 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.
What is the InChIKey of 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The InChIKey is SPIUTQOUKAMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3.
What are the key properties of 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is sourced from PubChem (CID 3354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).