[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

C19H22FN5O2 — CID 20959426

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN5O2/c20-16-1-3-17(4-2-16)23-5-7-24(8-6-23)18(26)15-13-21-19(22-14-15)25-9-11-27-12-10-25/h1-4,13-14H,5-12H2
InChIKeyGHIOUERTNZBWRJ-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.41
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (PubChem CID 20959426) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
PubChem CID20959426
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN5O2/c20-16-1-3-17(4-2-16)23-5-7-24(8-6-23)18(26)15-13-21-19(22-14-15)25-9-11-27-12-10-25/h1-4,13-14H,5-12H2
InChIKeyGHIOUERTNZBWRJ-UHFFFAOYSA-N
XLogP1.41
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018229
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46798589
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109159681
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762669
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 56875888
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (CID 20959426) is [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is O=C(c1cnc(N2CCOCC2)nc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is GHIOUERTNZBWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c20-16-1-3-17(4-2-16)23-5-7-24(8-6-23)18(26)15-13-21-19(22-14-15)25-9-11-27-12-10-25/h1-4,13-14H,5-12H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 371.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 20959426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).