(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone

C20H24FN5O2 — CID 92568467

IUPAC(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H24FN5O2/c21-17-3-1-2-16(14-17)19(27)25-8-6-24(7-9-25)15-18-4-5-22-20(23-18)26-10-12-28-13-11-26/h1-5,14H,6-13,15H2
InChIKeyRYHQAIQJFWNGSG-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.41
Rot. Bonds4

About (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone

(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 92568467) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID92568467
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H24FN5O2/c21-17-3-1-2-16(14-17)19(27)25-8-6-24(7-9-25)15-18-4-5-22-20(23-18)26-10-12-28-13-11-26/h1-5,14H,6-13,15H2
InChIKeyRYHQAIQJFWNGSG-UHFFFAOYSA-N
XLogP1.41
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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morpholin-4-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109082844
(3-fluorophenyl)-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone (CID 92568467) is (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is RYHQAIQJFWNGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-17-3-1-2-16(14-17)19(27)25-8-6-24(7-9-25)15-18-4-5-22-20(23-18)26-10-12-28-13-11-26/h1-5,14H,6-13,15H2.
What are the key properties of (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 385.44 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 92568467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).