(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone

C23H23FN4O2 — CID 56575190

IUPAC(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C23H23FN4O2/c1-2-17-3-5-18(6-4-17)22(29)27-13-15-28(16-14-27)23-25-12-11-21(26-23)30-20-9-7-19(24)8-10-20/h3-12H,2,13-16H2,1H3
InChIKeyKTTCWLUHXRWEPH-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.93
Rot. Bonds5

About (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone

(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 56575190) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID56575190
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C23H23FN4O2/c1-2-17-3-5-18(6-4-17)22(29)27-13-15-28(16-14-27)23-25-12-11-21(26-23)30-20-9-7-19(24)8-10-20/h3-12H,2,13-16H2,1H3
InChIKeyKTTCWLUHXRWEPH-UHFFFAOYSA-N
XLogP3.93
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 56554199
1-adamantyl-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575339
4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 56556990
(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
4-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10156226
(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone
CID 56574306
[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46082003
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-4-methylazepane
CID 56574045
(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703575
4-(4-fluorophenoxy)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pyrimidine
CID 56574204
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 56575190) is (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is KTTCWLUHXRWEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-2-17-3-5-18(6-4-17)22(29)27-13-15-28(16-14-27)23-25-12-11-21(26-23)30-20-9-7-19(24)8-10-20/h3-12H,2,13-16H2,1H3.
What are the key properties of (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 406.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 56575190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).