5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one

C22H28N4O2 — CID 70782872

IUPAC5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one
SMILESCCCCC1CN(c2cccc(C)c2)C(=O)CN1C(=O)c1cnc(CC)nc1
InChIInChI=1S/C22H28N4O2/c1-4-6-9-19-14-25(18-10-7-8-16(3)11-18)21(27)15-26(19)22(28)17-12-23-20(5-2)24-13-17/h7-8,10-13,19H,4-6,9,14-15H2,1-3H3
InChIKeyPWSQIENNUUXFQL-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.40
Rot. Bonds6

About 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one

5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one (PubChem CID 70782872) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one
PubChem CID70782872
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one
SMILESCCCCC1CN(c2cccc(C)c2)C(=O)CN1C(=O)c1cnc(CC)nc1
InChIInChI=1S/C22H28N4O2/c1-4-6-9-19-14-25(18-10-7-8-16(3)11-18)21(27)15-26(19)22(28)17-12-23-20(5-2)24-13-17/h7-8,10-13,19H,4-6,9,14-15H2,1-3H3
InChIKeyPWSQIENNUUXFQL-UHFFFAOYSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one
CID 96575129
(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 96582094
5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70786611
(5S)-4-acetyl-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 96572578
1-[2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 70730178
1-[(2S)-2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 96574461
5-butyl-4-(3-hydroxypropanoyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70785641
4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 70748407
4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 70766347
(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
CID 96571045
5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 70741349
(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
CID 96577675

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one?
The IUPAC name of 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one (CID 70782872) is 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one.
What is the SMILES notation for 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one?
The canonical SMILES for 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one is CCCCC1CN(c2cccc(C)c2)C(=O)CN1C(=O)c1cnc(CC)nc1.
What is the InChIKey of 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one?
The InChIKey is PWSQIENNUUXFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-6-9-19-14-25(18-10-7-8-16(3)11-18)21(27)15-26(19)22(28)17-12-23-20(5-2)24-13-17/h7-8,10-13,19H,4-6,9,14-15H2,1-3H3.
What are the key properties of 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one?
5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70782872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).