oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C15H23N5O5 — CID 651293

IUPACoxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCN(c2ncccn2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C13H21N5O.C2H2O4/c1-11(2)16-12(19)10-17-6-8-18(9-7-17)13-14-4-3-5-15-13;3-1(4)2(5)6/h3-5,11H,6-10H2,1-2H3,(H,16,19);(H,3,4)(H,5,6)
InChIKeyVKXWNYSSXXSXTL-UHFFFAOYSA-N
MW353.38 g/mol
LogP-0.72
Rot. Bonds4

About oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 651293) has the molecular formula C15H23N5O5 and a molecular weight of 353.38 g/mol. Its IUPAC name is oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Nameoxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID651293
Molecular FormulaC15H23N5O5
Molecular Weight353.38 g/mol
Exact Mass353.17
IUPAC Nameoxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCN(c2ncccn2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C13H21N5O.C2H2O4/c1-11(2)16-12(19)10-17-6-8-18(9-7-17)13-14-4-3-5-15-13;3-1(4)2(5)6/h3-5,11H,6-10H2,1-2H3,(H,16,19);(H,3,4)(H,5,6)
InChIKeyVKXWNYSSXXSXTL-UHFFFAOYSA-N
XLogP-0.72
TPSA135.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8543197
N-(2-methyl-1-pyridin-3-ylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118773371
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 125164687
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
CID 651792
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 97202541
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595828
2-[methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-N-propan-2-ylacetamide
CID 8914218
2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]-N-propan-2-ylacetamide
CID 119117614

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 651293) is oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CC(C)NC(=O)CN1CCN(c2ncccn2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is VKXWNYSSXXSXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O.C2H2O4/c1-11(2)16-12(19)10-17-6-8-18(9-7-17)13-14-4-3-5-15-13;3-1(4)2(5)6/h3-5,11H,6-10H2,1-2H3,(H,16,19);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 651293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).