7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one

C17H22N2O2 — CID 62547237

IUPAC7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one
SMILESCNC1CCCN(Cc2cc(=O)oc3cc(C)ccc23)C1
InChIInChI=1S/C17H22N2O2/c1-12-5-6-15-13(9-17(20)21-16(15)8-12)10-19-7-3-4-14(11-19)18-2/h5-6,8-9,14,18H,3-4,7,10-11H2,1-2H3
InChIKeyFYHVQWDIYNVZHR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.29
Rot. Bonds3

About 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one

7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one (PubChem CID 62547237) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one
PubChem CID62547237
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one
SMILESCNC1CCCN(Cc2cc(=O)oc3cc(C)ccc23)C1
InChIInChI=1S/C17H22N2O2/c1-12-5-6-15-13(9-17(20)21-16(15)8-12)10-19-7-3-4-14(11-19)18-2/h5-6,8-9,14,18H,3-4,7,10-11H2,1-2H3
InChIKeyFYHVQWDIYNVZHR-UHFFFAOYSA-N
XLogP2.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-1-[(7-methyl-2-oxochromen-4-yl)methyl]piperidine-3-carboxylate
CID 2468520
4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-7-methylchromen-2-one
CID 30668836
7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 23606550
7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one
CID 41180165
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one
CID 102985143
7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
CID 34725525
7-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 18086300
7-methyl-4-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]chromen-2-one
CID 42914452
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-7-methylchromen-2-one
CID 111106970
7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 18167928
7-bromo-4-[[4-(propan-2-ylamino)piperidin-1-yl]methyl]chromen-2-one
CID 56569802
N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 46367791

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one (CID 62547237) is 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one is CNC1CCCN(Cc2cc(=O)oc3cc(C)ccc23)C1.
What is the InChIKey of 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one?
The InChIKey is FYHVQWDIYNVZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-6-15-13(9-17(20)21-16(15)8-12)10-19-7-3-4-14(11-19)18-2/h5-6,8-9,14,18H,3-4,7,10-11H2,1-2H3.
What are the key properties of 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one?
7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one is sourced from PubChem (CID 62547237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).