1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

C17H18N4O2 — CID 133285409

IUPAC1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C17H18N4O2/c1-2-14(22)20-7-9-21(10-8-20)17-16-15(18-11-19-17)12-5-3-4-6-13(12)23-16/h3-6,11H,2,7-10H2,1H3
InChIKeyXPXYAZPRDRJLAU-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.43
Rot. Bonds2

About 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 133285409) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID133285409
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C17H18N4O2/c1-2-14(22)20-7-9-21(10-8-20)17-16-15(18-11-19-17)12-5-3-4-6-13(12)23-16/h3-6,11H,2,7-10H2,1H3
InChIKeyXPXYAZPRDRJLAU-UHFFFAOYSA-N
XLogP2.43
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 31662089
4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 660262
ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
CID 2952391
1,3-benzodioxol-5-yl-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 24679751
N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide;propanoic acid
CID 25050188
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042276
1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 46393062
2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide
CID 126826467
4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4291606
[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 50835137
4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 35784873
(2S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 6546523

Frequently Asked Questions

What is the IUPAC name of 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 133285409) is 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ncnc3c2oc2ccccc23)CC1.
What is the InChIKey of 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is XPXYAZPRDRJLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-14(22)20-7-9-21(10-8-20)17-16-15(18-11-19-17)12-5-3-4-6-13(12)23-16/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 310.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 133285409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).