[4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

C21H25FN4O — CID 46384759

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4O/c22-19-3-1-2-4-20(19)25-13-15-26(16-14-25)21(27)17-7-11-24(12-8-17)18-5-9-23-10-6-18/h1-6,9-10,17H,7-8,11-16H2
InChIKeyLKJLDAVIKRWENP-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.79
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (PubChem CID 46384759) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
PubChem CID46384759
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4O/c22-19-3-1-2-4-20(19)25-13-15-26(16-14-25)21(27)17-7-11-24(12-8-17)18-5-9-23-10-6-18/h1-6,9-10,17H,7-8,11-16H2
InChIKeyLKJLDAVIKRWENP-UHFFFAOYSA-N
XLogP2.79
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (CID 46384759) is [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2ccncc2)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The InChIKey is LKJLDAVIKRWENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-19-3-1-2-4-20(19)25-13-15-26(16-14-25)21(27)17-7-11-24(12-8-17)18-5-9-23-10-6-18/h1-6,9-10,17H,7-8,11-16H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone has a molecular weight of 368.46 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 46384759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).