1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone

C22H27N5O3 — CID 122340897

IUPAC1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1
InChIInChI=1S/C22H27N5O3/c1-16(28)18-3-5-19(6-4-18)22(29)27-9-7-25(8-10-27)20-15-21(24-17(2)23-20)26-11-13-30-14-12-26/h3-6,15H,7-14H2,1-2H3
InChIKeyCGEUZDHCYYHANO-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone

1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone (PubChem CID 122340897) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
PubChem CID122340897
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1
InChIInChI=1S/C22H27N5O3/c1-16(28)18-3-5-19(6-4-18)22(29)27-9-7-25(8-10-27)20-15-21(24-17(2)23-20)26-11-13-30-14-12-26/h3-6,15H,7-14H2,1-2H3
InChIKeyCGEUZDHCYYHANO-UHFFFAOYSA-N
XLogP1.79
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748400
(4-bromophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748441
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
(4-ethylphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699890
(5-fluoro-3-pyridinyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340903
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699345
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340830
[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 122340854
(4-tert-butylphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342214
(4-methoxyphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342217
[4-(dimethylamino)phenyl]-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333542

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone (CID 122340897) is 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone?
The InChIKey is CGEUZDHCYYHANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-16(28)18-3-5-19(6-4-18)22(29)27-9-7-25(8-10-27)20-15-21(24-17(2)23-20)26-11-13-30-14-12-26/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone?
1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone has a molecular weight of 409.49 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 122340897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).