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

C23H23NO4 — CID 3070433

IUPAC(1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OC3CCN(C)CC3)cccc2c1=O
InChIInChI=1S/C23H23NO4/c1-15-20(25)18-9-6-10-19(23(26)27-17-11-13-24(2)14-12-17)22(18)28-21(15)16-7-4-3-5-8-16/h3-10,17H,11-14H2,1-2H3
InChIKeyBJEMJLNVSZPUDE-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.02
Rot. Bonds3

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

(1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (PubChem CID 3070433) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
PubChem CID3070433
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OC3CCN(C)CC3)cccc2c1=O
InChIInChI=1S/C23H23NO4/c1-15-20(25)18-9-6-10-19(23(26)27-17-11-13-24(2)14-12-17)22(18)28-21(15)16-7-4-3-5-8-16/h3-10,17H,11-14H2,1-2H3
InChIKeyBJEMJLNVSZPUDE-UHFFFAOYSA-N
XLogP4.02
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Flavoxate
CID 3354
Flavoxate Hydrochloride
CID 441345
Terflavoxate
CID 135750
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
3-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11773145
8-Phenyl-2-piperidin-1-yl-chromen-4-one
CID 11185819
2-[1-(2-Phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 45487215
1-[2-(3-Piperidin-1-ylpropoxy)phenyl]ethanone
CID 2950982
7-{3-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-propoxy}-3-methyl-chromen-4-one
CID 10502396
2-(4-Benzyl-piperidin-1-ylmethyl)-chromen-4-one
CID 10616657
methyl 3-(2-(morpholin-4-yl)-4-oxo-4H-chromen-7-yloxymethyl)-benzoate
CID 11552974
7-[6-(4-Hydroxy-piperidin-1-yl)-hexyloxy]-2-phenyl-chromen-4-one
CID 14982994

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (CID 3070433) is (1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is Cc1c(-c2ccccc2)oc2c(C(=O)OC3CCN(C)CC3)cccc2c1=O.
What is the InChIKey of (1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The InChIKey is BJEMJLNVSZPUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-20(25)18-9-6-10-19(23(26)27-17-11-13-24(2)14-12-17)22(18)28-21(15)16-7-4-3-5-8-16/h3-10,17H,11-14H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
(1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is sourced from PubChem (CID 3070433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).