[2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone

C22H26N2O3 — CID 154247293

IUPAC[2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone
SMILESCC(C)CN1CCC(c2c(N)oc3ccc(C(=O)c4ccoc4)cc23)CC1
InChIInChI=1S/C22H26N2O3/c1-14(2)12-24-8-5-15(6-9-24)20-18-11-16(3-4-19(18)27-22(20)23)21(25)17-7-10-26-13-17/h3-4,7,10-11,13-15H,5-6,8-9,12,23H2,1-2H3
InChIKeyOMOWJEIBBNGJBA-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.67
Rot. Bonds5

About [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone

[2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone (PubChem CID 154247293) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone
PubChem CID154247293
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone
SMILESCC(C)CN1CCC(c2c(N)oc3ccc(C(=O)c4ccoc4)cc23)CC1
InChIInChI=1S/C22H26N2O3/c1-14(2)12-24-8-5-15(6-9-24)20-18-11-16(3-4-19(18)27-22(20)23)21(25)17-7-10-26-13-17/h3-4,7,10-11,13-15H,5-6,8-9,12,23H2,1-2H3
InChIKeyOMOWJEIBBNGJBA-UHFFFAOYSA-N
XLogP4.67
TPSA72.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-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 [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone?
The IUPAC name of [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone (CID 154247293) is [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone?
The canonical SMILES for [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone is CC(C)CN1CCC(c2c(N)oc3ccc(C(=O)c4ccoc4)cc23)CC1.
What is the InChIKey of [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone?
The InChIKey is OMOWJEIBBNGJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14(2)12-24-8-5-15(6-9-24)20-18-11-16(3-4-19(18)27-22(20)23)21(25)17-7-10-26-13-17/h3-4,7,10-11,13-15H,5-6,8-9,12,23H2,1-2H3.
What are the key properties of [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone?
[2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone has a molecular weight of 366.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 154247293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).