7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one

C18H23NO2 — CID 3924084

IUPAC7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCCCC3C)cc(=O)oc2c1C
InChIInChI=1S/C18H23NO2/c1-12-7-8-16-15(10-17(20)21-18(16)14(12)3)11-19-9-5-4-6-13(19)2/h7-8,10,13H,4-6,9,11H2,1-3H3
InChIKeyMEUUBMIEFPFTSQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.78
Rot. Bonds2

About 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one

7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one (PubChem CID 3924084) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
PubChem CID3924084
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCCCC3C)cc(=O)oc2c1C
InChIInChI=1S/C18H23NO2/c1-12-7-8-16-15(10-17(20)21-18(16)14(12)3)11-19-9-5-4-6-13(19)2/h7-8,10,13H,4-6,9,11H2,1-3H3
InChIKeyMEUUBMIEFPFTSQ-UHFFFAOYSA-N
XLogP3.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 16576387
7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one
CID 9000341
5,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
CID 4973102
5,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one chloride
CID 53352370
ethyl 1-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperidine-3-carboxylate
CID 16554670
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-6,8-dimethylchromen-2-one
CID 3818799
7,8-dimethyl-4-[(6-methyl-1-oxo-1,4-thiazepan-4-yl)methyl]chromen-2-one
CID 119035625
7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 2044963
4-[[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]methyl]-7,8-dimethylchromen-2-one
CID 11940283
(7,8-dimethyl-2-oxochromen-4-yl)methyl 1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 71896872
7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one
CID 75482323

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one?
The IUPAC name of 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one (CID 3924084) is 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one is Cc1ccc2c(CN3CCCCC3C)cc(=O)oc2c1C.
What is the InChIKey of 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one?
The InChIKey is MEUUBMIEFPFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-7-8-16-15(10-17(20)21-18(16)14(12)3)11-19-9-5-4-6-13(19)2/h7-8,10,13H,4-6,9,11H2,1-3H3.
What are the key properties of 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one?
7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 3924084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).