[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone

C21H26FN5O — CID 53102037

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCc1ccnc(N2CCCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)n1
InChIInChI=1S/C21H26FN5O/c1-16-8-9-23-21(24-16)27-10-2-3-17(15-27)20(28)26-13-11-25(12-14-26)19-6-4-18(22)5-7-19/h4-9,17H,2-3,10-15H2,1H3
InChIKeyUKOWCAYTDALHAE-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.49
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone (PubChem CID 53102037) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone
PubChem CID53102037
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCc1ccnc(N2CCCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)n1
InChIInChI=1S/C21H26FN5O/c1-16-8-9-23-21(24-16)27-10-2-3-17(15-27)20(28)26-13-11-25(12-14-26)19-6-4-18(22)5-7-19/h4-9,17H,2-3,10-15H2,1H3
InChIKeyUKOWCAYTDALHAE-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone (CID 53102037) is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone is Cc1ccnc(N2CCCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)n1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone?
The InChIKey is UKOWCAYTDALHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-16-8-9-23-21(24-16)27-10-2-3-17(15-27)20(28)26-13-11-25(12-14-26)19-6-4-18(22)5-7-19/h4-9,17H,2-3,10-15H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 53102037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).