2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone

C21H28N2O3 — CID 118986623

IUPAC2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
SMILESCC1=CC(C)(C)N(C(=O)CN2CCC(C)CC2)c2cc3c(cc21)OCO3
InChIInChI=1S/C21H28N2O3/c1-14-5-7-22(8-6-14)12-20(24)23-17-10-19-18(25-13-26-19)9-16(17)15(2)11-21(23,3)4/h9-11,14H,5-8,12-13H2,1-4H3
InChIKeyAAIKMFKGZZQFCE-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.68
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone

2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone (PubChem CID 118986623) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
PubChem CID118986623
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
SMILESCC1=CC(C)(C)N(C(=O)CN2CCC(C)CC2)c2cc3c(cc21)OCO3
InChIInChI=1S/C21H28N2O3/c1-14-5-7-22(8-6-14)12-20(24)23-17-10-19-18(25-13-26-19)9-16(17)15(2)11-21(23,3)4/h9-11,14H,5-8,12-13H2,1-4H3
InChIKeyAAIKMFKGZZQFCE-UHFFFAOYSA-N
XLogP3.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

5-(1-Methylethyl)-8-phenyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-one
CID 36331
N-[2-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide
CID 18574682
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazine
CID 791168
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]-4-phenylpiperazine
CID 791323
1-((2H-1,3-Benzodioxol-5-yl)methyl)-4-phenylpiperazine
CID 765879
N-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide
CID 71758655
2-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-1-(6-methoxy-2,2,4-trimethyl-2H-quinolin-1-yl)-ethanone
CID 649478
N-(6-Oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinolin-7-ylmethyl)-N-(2-o-tolyl-ethyl)-acetamide
CID 650998
N-(6-Oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinolin-7-ylmethyl)-N-(2-o-tolyl-ethyl)-propionamide
CID 654838
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 991070
2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1-((R)-2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 1946142

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone (CID 118986623) is 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone is CC1=CC(C)(C)N(C(=O)CN2CCC(C)CC2)c2cc3c(cc21)OCO3.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone?
The InChIKey is AAIKMFKGZZQFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-5-7-22(8-6-14)12-20(24)23-17-10-19-18(25-13-26-19)9-16(17)15(2)11-21(23,3)4/h9-11,14H,5-8,12-13H2,1-4H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone?
2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone is sourced from PubChem (CID 118986623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).