N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide

C18H21N5O2 — CID 113167136

IUPACN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-15(24)23(16-6-3-2-4-7-16)14-17(25)21-10-12-22(13-11-21)18-19-8-5-9-20-18/h2-9H,10-14H2,1H3
InChIKeyUTPIEXCJJSNQNR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.18
Rot. Bonds4

About N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide

N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide (PubChem CID 113167136) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
PubChem CID113167136
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-15(24)23(16-6-3-2-4-7-16)14-17(25)21-10-12-22(13-11-21)18-19-8-5-9-20-18/h2-9H,10-14H2,1H3
InChIKeyUTPIEXCJJSNQNR-UHFFFAOYSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 35560039
N-(4-cyanophenyl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113181086
N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990448
N-(2-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123599
N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135076
N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127238
N-(2-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127071
N-benzyl-2-oxo-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108528253
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113177614
N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135384

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide?
The IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide (CID 113167136) is N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide?
The canonical SMILES for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide is CC(=O)N(CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide?
The InChIKey is UTPIEXCJJSNQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-15(24)23(16-6-3-2-4-7-16)14-17(25)21-10-12-22(13-11-21)18-19-8-5-9-20-18/h2-9H,10-14H2,1H3.
What are the key properties of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide?
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide has a molecular weight of 339.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide is sourced from PubChem (CID 113167136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).