(6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone

C13H16N2O4 — CID 103542769

IUPAC(6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1cc2c(cc1C(=O)N1CCC(O)CC1)OCO2
InChIInChI=1S/C13H16N2O4/c14-10-6-12-11(18-7-19-12)5-9(10)13(17)15-3-1-8(16)2-4-15/h5-6,8,16H,1-4,7,14H2
InChIKeyAZUWUDJMFIKKFR-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.59
Rot. Bonds1

About (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone

(6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 103542769) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID103542769
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1cc2c(cc1C(=O)N1CCC(O)CC1)OCO2
InChIInChI=1S/C13H16N2O4/c14-10-6-12-11(18-7-19-12)5-9(10)13(17)15-3-1-8(16)2-4-15/h5-6,8,16H,1-4,7,14H2
InChIKeyAZUWUDJMFIKKFR-UHFFFAOYSA-N
XLogP0.59
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-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

methyl 1-(6-amino-1,3-benzodioxole-5-carbonyl)pyrrolidine-3-carboxylate
CID 103543283
(6-amino-1,3-benzodioxol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 103543500
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(6-amino-1,3-benzodioxol-5-yl)methanone
CID 103543333
1-(6-amino-1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxamide
CID 103542807
(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone
CID 82550269
(6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 103543065
(6-amino-1,3-benzodioxol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 103543301
(6-amino-1,3-benzodioxol-5-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 103543276
(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 58736577
[2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 172563832
[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 172563826
1-(6-amino-1,3-benzodioxol-5-yl)-2-bromoethanone
CID 139571740

Frequently Asked Questions

What is the IUPAC name of (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 103542769) is (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone is Nc1cc2c(cc1C(=O)N1CCC(O)CC1)OCO2.
What is the InChIKey of (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is AZUWUDJMFIKKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-10-6-12-11(18-7-19-12)5-9(10)13(17)15-3-1-8(16)2-4-15/h5-6,8,16H,1-4,7,14H2.
What are the key properties of (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
(6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 264.28 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 103542769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).