(6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone

C15H20N2O3 — CID 103543065

IUPAC(6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc3c(cc2N)OCO3)C1C
InChIInChI=1S/C15H20N2O3/c1-9-4-3-5-17(10(9)2)15(18)11-6-13-14(7-12(11)16)20-8-19-13/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyILLCCFBCPCAACY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.26
Rot. Bonds1

About (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone

(6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 103543065) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID103543065
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc3c(cc2N)OCO3)C1C
InChIInChI=1S/C15H20N2O3/c1-9-4-3-5-17(10(9)2)15(18)11-6-13-14(7-12(11)16)20-8-19-13/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyILLCCFBCPCAACY-UHFFFAOYSA-N
XLogP2.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone 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

1-(6-amino-1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxamide
CID 103542807
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(6-amino-1,3-benzodioxol-5-yl)methanone
CID 103543333
(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123342
(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62124769
(6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 103542769
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
(6-amino-1,3-benzodioxol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 103543301
(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123341
methyl 1-(6-amino-1,3-benzodioxole-5-carbonyl)pyrrolidine-3-carboxylate
CID 103543283
(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122802
(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 62122713
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438

Frequently Asked Questions

What is the IUPAC name of (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 103543065) is (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc3c(cc2N)OCO3)C1C.
What is the InChIKey of (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is ILLCCFBCPCAACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-4-3-5-17(10(9)2)15(18)11-6-13-14(7-12(11)16)20-8-19-13/h6-7,9-10H,3-5,8,16H2,1-2H3.
What are the key properties of (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
(6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103543065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).