(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C21H27N5O3 — CID 70703575

IUPAC(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C21H27N5O3/c1-2-29-18-5-3-17(4-6-18)20(27)25-11-9-24(10-12-25)19-7-8-22-21(23-19)26-13-15-28-16-14-26/h3-8H,2,9-16H2,1H3
InChIKeyIWTZAMULRAMBHP-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.67
Rot. Bonds5

About (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 70703575) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID70703575
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C21H27N5O3/c1-2-29-18-5-3-17(4-6-18)20(27)25-11-9-24(10-12-25)19-7-8-22-21(23-19)26-13-15-28-16-14-26/h3-8H,2,9-16H2,1H3
InChIKeyIWTZAMULRAMBHP-UHFFFAOYSA-N
XLogP1.67
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122344468
(3,4-difluorophenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344401
(6-ethoxy-3-pyridinyl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343885
[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122333584
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(2-methoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56922132
(3,5-dimethoxyphenyl)-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46082012
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 70703060
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
4-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10156226
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759809

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 70703575) is (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is IWTZAMULRAMBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-2-29-18-5-3-17(4-6-18)20(27)25-11-9-24(10-12-25)19-7-8-22-21(23-19)26-13-15-28-16-14-26/h3-8H,2,9-16H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70703575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).