methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate

C19H20N4O4 — CID 50948903

IUPACmethyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C(C)C1=O
InChIInChI=1S/C19H20N4O4/c1-13-18(25)22(12-16(24)27-2)8-9-23(13)19(26)15-10-20-17(21-11-15)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3
InChIKeyHZQAPLCAZOJWLR-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.99
Rot. Bonds4

About methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate

methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate (PubChem CID 50948903) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate
PubChem CID50948903
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Namemethyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C(C)C1=O
InChIInChI=1S/C19H20N4O4/c1-13-18(25)22(12-16(24)27-2)8-9-23(13)19(26)15-10-20-17(21-11-15)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3
InChIKeyHZQAPLCAZOJWLR-UHFFFAOYSA-N
XLogP0.99
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate 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

methyl 2-[(3S)-4-(8-fluoroquinoline-2-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate
CID 95127053
methyl 2-[3-methyl-4-[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]-2-oxopiperazin-1-yl]acetate
CID 172658094
[2-(methylamino)pyrimidin-5-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690816
2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid
CID 126435916
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 124692681
3-methyl-1-[(3-methylphenyl)methyl]-4-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]piperazin-2-one
CID 46998864
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 96581267
methyl 2-[4-(3-fluorobenzoyl)-3-(2-hydroxy-3-phenoxypropyl)-2-oxopiperazin-1-yl]acetate
CID 11247772
methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate
CID 170511220
(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone
CID 154778886
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate (CID 50948903) is methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C(C)C1=O.
What is the InChIKey of methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate?
The InChIKey is HZQAPLCAZOJWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13-18(25)22(12-16(24)27-2)8-9-23(13)19(26)15-10-20-17(21-11-15)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3.
What are the key properties of methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate?
methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate has a molecular weight of 368.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 50948903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).