2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

C20H23N5O2 — CID 139755694

IUPAC2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1coc2ccccc12)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N5O2/c26-19(14-16-15-27-18-5-2-1-4-17(16)18)21-8-9-24-10-12-25(13-11-24)20-22-6-3-7-23-20/h1-7,15H,8-14H2,(H,21,26)
InChIKeyIBLVYYSZMOTJOB-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.70
Rot. Bonds6

About 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (PubChem CID 139755694) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
PubChem CID139755694
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1coc2ccccc12)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N5O2/c26-19(14-16-15-27-18-5-2-1-4-17(16)18)21-8-9-24-10-12-25(13-11-24)20-22-6-3-7-23-20/h1-7,15H,8-14H2,(H,21,26)
InChIKeyIBLVYYSZMOTJOB-UHFFFAOYSA-N
XLogP1.70
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 60545132
1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 55992757
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 4728264
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55933192
2-(1-benzofuran-3-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 110463889
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
2-(1-benzofuran-3-yl)-N-pentylacetamide
CID 110485830
N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
CID 55933196
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109022602
5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide
CID 55933830
2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
CID 120703590

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (CID 139755694) is 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is O=C(Cc1coc2ccccc12)NCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is IBLVYYSZMOTJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-19(14-16-15-27-18-5-2-1-4-17(16)18)21-8-9-24-10-12-25(13-11-24)20-22-6-3-7-23-20/h1-7,15H,8-14H2,(H,21,26).
What are the key properties of 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 139755694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).