[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone

C15H18N2O3 — CID 70762522

IUPAC[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone
SMILESCc1cc2cccc(C(=O)N3CC[C@@H](N)[C@H](O)C3)c2o1
InChIInChI=1S/C15H18N2O3/c1-9-7-10-3-2-4-11(14(10)20-9)15(19)17-6-5-12(16)13(18)8-17/h2-4,7,12-13,18H,5-6,8,16H2,1H3/t12-,13-/m1/s1
InChIKeyGBJMIEZNDYCPDA-CHWSQXEVSA-N
MW274.32 g/mol
LogP1.28
Rot. Bonds1

About [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone

[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone (PubChem CID 70762522) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone
PubChem CID70762522
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone
SMILESCc1cc2cccc(C(=O)N3CC[C@@H](N)[C@H](O)C3)c2o1
InChIInChI=1S/C15H18N2O3/c1-9-7-10-3-2-4-11(14(10)20-9)15(19)17-6-5-12(16)13(18)8-17/h2-4,7,12-13,18H,5-6,8,16H2,1H3/t12-,13-/m1/s1
InChIKeyGBJMIEZNDYCPDA-CHWSQXEVSA-N
XLogP1.28
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-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

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The IUPAC name of [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone (CID 70762522) is [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The canonical SMILES for [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone is Cc1cc2cccc(C(=O)N3CC[C@@H](N)[C@H](O)C3)c2o1.
What is the InChIKey of [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The InChIKey is GBJMIEZNDYCPDA-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-7-10-3-2-4-11(14(10)20-9)15(19)17-6-5-12(16)13(18)8-17/h2-4,7,12-13,18H,5-6,8,16H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 70762522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).