N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C14H21N5O4 — CID 108530043

IUPACN-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOC(CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)OC
InChIInChI=1S/C14H21N5O4/c1-22-11(23-2)10-17-12(20)13(21)18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5,11H,6-10H2,1-2H3,(H,17,20)
InChIKeyVZIHFHPOHDMIHW-UHFFFAOYSA-N
MW323.35 g/mol
LogP-1.14
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108530043) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID108530043
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC NameN-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOC(CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)OC
InChIInChI=1S/C14H21N5O4/c1-22-11(23-2)10-17-12(20)13(21)18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5,11H,6-10H2,1-2H3,(H,17,20)
InChIKeyVZIHFHPOHDMIHW-UHFFFAOYSA-N
XLogP-1.14
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43315831
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108506303
N-[2-(3-methoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108985441
N-[(4-chlorophenyl)methyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108507791
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
N-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905
ethyl 4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
CID 108500168
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
N-[2,6-di(propan-2-yl)phenyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108986194
N-(2-ethylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108530365

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 108530043) is N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is COC(CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is VZIHFHPOHDMIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-22-11(23-2)10-17-12(20)13(21)18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5,11H,6-10H2,1-2H3,(H,17,20).
What are the key properties of N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of -1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108530043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).