(1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride

C23H24ClNO4 — CID 3070421

IUPAC(1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OC3CCCN(C)C3)cccc2c1=O.Cl
InChIInChI=1S/C23H23NO4.ClH/c1-15-20(25)18-11-6-12-19(23(26)27-17-10-7-13-24(2)14-17)22(18)28-21(15)16-8-4-3-5-9-16;/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3;1H
InChIKeyLKTLONILMAGBQE-UHFFFAOYSA-N
MW413.90 g/mol
LogP4.44
Rot. Bonds3

About (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride

(1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride (PubChem CID 3070421) has the molecular formula C23H24ClNO4 and a molecular weight of 413.90 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
PubChem CID3070421
Molecular FormulaC23H24ClNO4
Molecular Weight413.90 g/mol
Exact Mass413.14
IUPAC Name(1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OC3CCCN(C)C3)cccc2c1=O.Cl
InChIInChI=1S/C23H23NO4.ClH/c1-15-20(25)18-11-6-12-19(23(26)27-17-10-7-13-24(2)14-17)22(18)28-21(15)16-8-4-3-5-9-16;/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3;1H
InChIKeyLKTLONILMAGBQE-UHFFFAOYSA-N
XLogP4.44
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride?
The IUPAC name of (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride (CID 3070421) is (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride is Cc1c(-c2ccccc2)oc2c(C(=O)OC3CCCN(C)C3)cccc2c1=O.Cl.
What is the InChIKey of (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride?
The InChIKey is LKTLONILMAGBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4.ClH/c1-15-20(25)18-11-6-12-19(23(26)27-17-10-7-13-24(2)14-17)22(18)28-21(15)16-8-4-3-5-9-16;/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride?
(1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride has a molecular weight of 413.90 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride is sourced from PubChem (CID 3070421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).