N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide

C13H20N6O4 — CID 167848306

IUPACN-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCONC(=O)CNC(=O)N1CCN(c2cc(OC)ncn2)CC1
InChIInChI=1S/C13H20N6O4/c1-22-12-7-10(15-9-16-12)18-3-5-19(6-4-18)13(21)14-8-11(20)17-23-2/h7,9H,3-6,8H2,1-2H3,(H,14,21)(H,17,20)
InChIKeyOGSMIRXTAOPDIR-UHFFFAOYSA-N
MW324.34 g/mol
LogP-1.01
Rot. Bonds5

About N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide

N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 167848306) has the molecular formula C13H20N6O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID167848306
Molecular FormulaC13H20N6O4
Molecular Weight324.34 g/mol
Exact Mass324.15
IUPAC NameN-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCONC(=O)CNC(=O)N1CCN(c2cc(OC)ncn2)CC1
InChIInChI=1S/C13H20N6O4/c1-22-12-7-10(15-9-16-12)18-3-5-19(6-4-18)13(21)14-8-11(20)17-23-2/h7,9H,3-6,8H2,1-2H3,(H,14,21)(H,17,20)
InChIKeyOGSMIRXTAOPDIR-UHFFFAOYSA-N
XLogP-1.01
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide 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-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 126785553
tert-butyl 4-(6-methoxypyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 171997599
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 165431973
1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone
CID 136540505
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343340
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 66318068
4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 122343655
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
(E)-1-(4-methoxyphenyl)-4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]but-2-ene-1,4-dione
CID 167807871
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
4-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-6-methoxypyrimidine
CID 165433836

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide (CID 167848306) is N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide is CONC(=O)CNC(=O)N1CCN(c2cc(OC)ncn2)CC1.
What is the InChIKey of N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is OGSMIRXTAOPDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O4/c1-22-12-7-10(15-9-16-12)18-3-5-19(6-4-18)13(21)14-8-11(20)17-23-2/h7,9H,3-6,8H2,1-2H3,(H,14,21)(H,17,20).
What are the key properties of N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 324.34 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 167848306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).