N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide

C21H22N2O3 — CID 19154858

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1
InChIInChI=1S/C21H22N2O3/c1-22-11-9-15(10-12-22)23(2)20(24)18-13-17-16-6-4-3-5-14(16)7-8-19(17)26-21(18)25/h3-8,13,15H,9-12H2,1-2H3
InChIKeyQOCWTGDQMLNKSR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide (PubChem CID 19154858) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide
PubChem CID19154858
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1
InChIInChI=1S/C21H22N2O3/c1-22-11-9-15(10-12-22)23(2)20(24)18-13-17-16-6-4-3-5-14(16)7-8-19(17)26-21(18)25/h3-8,13,15H,9-12H2,1-2H3
InChIKeyQOCWTGDQMLNKSR-UHFFFAOYSA-N
XLogP3.11
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide (CID 19154858) is N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide is CN1CCC(N(C)C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide?
The InChIKey is QOCWTGDQMLNKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-22-11-9-15(10-12-22)23(2)20(24)18-13-17-16-6-4-3-5-14(16)7-8-19(17)26-21(18)25/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 19154858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).