2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide

C17H20N6O2 — CID 22199066

IUPAC2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N6O2/c18-16(25)13-4-1-2-5-14(13)21-15(24)12-22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-12H2,(H2,18,25)(H,21,24)
InChIKeyNXOMIBYKVYDSDX-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.34
Rot. Bonds5

About 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide

2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide (PubChem CID 22199066) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
PubChem CID22199066
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N6O2/c18-16(25)13-4-1-2-5-14(13)21-15(24)12-22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-12H2,(H2,18,25)(H,21,24)
InChIKeyNXOMIBYKVYDSDX-UHFFFAOYSA-N
XLogP0.34
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 31536358
N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 17391707
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-(2-bromophenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]acetamide
CID 26570245
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 1374696
2-[[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55493980
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide (CID 22199066) is 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
The InChIKey is NXOMIBYKVYDSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c18-16(25)13-4-1-2-5-14(13)21-15(24)12-22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-12H2,(H2,18,25)(H,21,24).
What are the key properties of 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide has a molecular weight of 340.39 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 22199066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).