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

C18H21N5O2 — CID 9243504

IUPACN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O2/c24-16(13-15-5-2-1-3-6-15)21-14-17(25)22-9-11-23(12-10-22)18-19-7-4-8-20-18/h1-8H,9-14H2,(H,21,24)
InChIKeyPOOIAXPXDHGSLA-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.48
Rot. Bonds5

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

N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide (PubChem CID 9243504) 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]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
PubChem CID9243504
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O2/c24-16(13-15-5-2-1-3-6-15)21-14-17(25)22-9-11-23(12-10-22)18-19-7-4-8-20-18/h1-8H,9-14H2,(H,21,24)
InChIKeyPOOIAXPXDHGSLA-UHFFFAOYSA-N
XLogP0.48
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 112994685
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 9243267
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
2-(3-phenylpropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004865
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 27826647
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109024262
5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 55833530
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
CID 112994704
2-[(2-methylphenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108996536
4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 9243282

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide (CID 9243504) is N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide?
The InChIKey is POOIAXPXDHGSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16(13-15-5-2-1-3-6-15)21-14-17(25)22-9-11-23(12-10-22)18-19-7-4-8-20-18/h1-8H,9-14H2,(H,21,24).
What are the key properties of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide?
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide has a molecular weight of 339.40 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 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]-2-phenylacetamide is sourced from PubChem (CID 9243504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).