[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

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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).