3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one

C18H20N4O2 — CID 45195008

IUPAC3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CCNC(=O)C2Cc2ccccc2)nc(C)n1
InChIInChI=1S/C18H20N4O2/c1-12-10-15(21-13(2)20-12)18(24)22-9-8-19-17(23)16(22)11-14-6-4-3-5-7-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,19,23)
InChIKeyBOFBPXLNHZLGRL-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.28
Rot. Bonds3

About 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one

3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one (PubChem CID 45195008) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
PubChem CID45195008
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CCNC(=O)C2Cc2ccccc2)nc(C)n1
InChIInChI=1S/C18H20N4O2/c1-12-10-15(21-13(2)20-12)18(24)22-9-8-19-17(23)16(22)11-14-6-4-3-5-7-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,19,23)
InChIKeyBOFBPXLNHZLGRL-UHFFFAOYSA-N
XLogP1.28
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
(3S)-3-benzyl-4-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 42556990
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
CID 74236865
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one
CID 45229030
(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 29084883
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 97455455
2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 72933841

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one (CID 45195008) is 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one is Cc1cc(C(=O)N2CCNC(=O)C2Cc2ccccc2)nc(C)n1.
What is the InChIKey of 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one?
The InChIKey is BOFBPXLNHZLGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-10-15(21-13(2)20-12)18(24)22-9-8-19-17(23)16(22)11-14-6-4-3-5-7-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,19,23).
What are the key properties of 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one?
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one has a molecular weight of 324.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 45195008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).