4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one

C22H26N4O3 — CID 126806779

IUPAC4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccnc(N4CCOC(C)C4)c3)CC2=O)cc1
InChIInChI=1S/C22H26N4O3/c1-16-3-5-19(6-4-16)26-10-9-25(15-21(26)27)22(28)18-7-8-23-20(13-18)24-11-12-29-17(2)14-24/h3-8,13,17H,9-12,14-15H2,1-2H3
InChIKeyDWGDEXPMTSMSRF-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.10
Rot. Bonds3

About 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one

4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one (PubChem CID 126806779) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
PubChem CID126806779
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccnc(N4CCOC(C)C4)c3)CC2=O)cc1
InChIInChI=1S/C22H26N4O3/c1-16-3-5-19(6-4-16)26-10-9-25(15-21(26)27)22(28)18-7-8-23-20(13-18)24-11-12-29-17(2)14-24/h3-8,13,17H,9-12,14-15H2,1-2H3
InChIKeyDWGDEXPMTSMSRF-UHFFFAOYSA-N
XLogP2.10
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
CID 70756809
(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96582112
4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70717876
4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70741390
1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
CID 70744765
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637249
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70711644
1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one
CID 70769002
methyl 4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxylate
CID 172634298
2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide
CID 114399474

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one (CID 126806779) is 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)c3ccnc(N4CCOC(C)C4)c3)CC2=O)cc1.
What is the InChIKey of 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is DWGDEXPMTSMSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-3-5-19(6-4-16)26-10-9-25(15-21(26)27)22(28)18-7-8-23-20(13-18)24-11-12-29-17(2)14-24/h3-8,13,17H,9-12,14-15H2,1-2H3.
What are the key properties of 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 394.48 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 126806779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).