(3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone

C18H21N5O2 — CID 31747134

IUPAC(3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H21N5O2/c19-17-16(20-4-5-21-17)18(24)23-8-6-22(7-9-23)12-13-1-2-15-14(11-13)3-10-25-15/h1-2,4-5,11H,3,6-10,12H2,(H2,19,21)
InChIKeyUXALIATXRDVGGA-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.95
Rot. Bonds3

About (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 31747134) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID31747134
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H21N5O2/c19-17-16(20-4-5-21-17)18(24)23-8-6-22(7-9-23)12-13-1-2-15-14(11-13)3-10-25-15/h1-2,4-5,11H,3,6-10,12H2,(H2,19,21)
InChIKeyUXALIATXRDVGGA-UHFFFAOYSA-N
XLogP0.95
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone (CID 31747134) is (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone is Nc1nccnc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is UXALIATXRDVGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-17-16(20-4-5-21-17)18(24)23-8-6-22(7-9-23)12-13-1-2-15-14(11-13)3-10-25-15/h1-2,4-5,11H,3,6-10,12H2,(H2,19,21).
What are the key properties of (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 31747134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).