1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H16N4O2 — CID 2707484

IUPAC1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16N4O2/c22-16(15-12-13-4-1-2-5-14(13)23-15)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7,12H,8-11H2
InChIKeyWWWGUOMIWHHLFP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.19
Rot. Bonds2

About 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2707484) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2707484
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16N4O2/c22-16(15-12-13-4-1-2-5-14(13)23-15)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7,12H,8-11H2
InChIKeyWWWGUOMIWHHLFP-UHFFFAOYSA-N
XLogP2.19
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335220
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
1-benzofuran-2-yl-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
CID 42535118
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
1-benzofuran-2-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2889798
(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896003

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2707484) is 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cc2ccccc2o1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WWWGUOMIWHHLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(15-12-13-4-1-2-5-14(13)23-15)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7,12H,8-11H2.
What are the key properties of 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 308.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2707484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).