[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone

C15H19N3O2 — CID 80504331

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3o2)C(CN)C1
InChIInChI=1S/C15H19N3O2/c1-17-6-7-18(12(9-16)10-17)15(19)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,12H,6-7,9-10,16H2,1H3
InChIKeyPOYRGZKCQQILIQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.15
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone (PubChem CID 80504331) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone
PubChem CID80504331
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3o2)C(CN)C1
InChIInChI=1S/C15H19N3O2/c1-17-6-7-18(12(9-16)10-17)15(19)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,12H,6-7,9-10,16H2,1H3
InChIKeyPOYRGZKCQQILIQ-UHFFFAOYSA-N
XLogP1.15
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-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

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 80504727
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505273
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 80504849
1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040394
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone
CID 141120566
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 80504536
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345098
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
CID 104872380
1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978460

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone (CID 80504331) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone is CN1CCN(C(=O)c2cc3ccccc3o2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone?
The InChIKey is POYRGZKCQQILIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-6-7-18(12(9-16)10-17)15(19)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,12H,6-7,9-10,16H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 80504331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).