[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C23H26FN3O2 — CID 3779667

IUPAC[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H26FN3O2/c24-20-10-8-18(9-11-20)22(28)27-12-4-5-19(17-27)23(29)26-15-13-25(14-16-26)21-6-2-1-3-7-21/h1-3,6-11,19H,4-5,12-17H2
InChIKeyWQDTZEGWGUMGMQ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.03
Rot. Bonds3

About [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3779667) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID3779667
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H26FN3O2/c24-20-10-8-18(9-11-20)22(28)27-12-4-5-19(17-27)23(29)26-15-13-25(14-16-26)21-6-2-1-3-7-21/h1-3,6-11,19H,4-5,12-17H2
InChIKeyWQDTZEGWGUMGMQ-UHFFFAOYSA-N
XLogP3.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 3779667) is [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WQDTZEGWGUMGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-20-10-8-18(9-11-20)22(28)27-12-4-5-19(17-27)23(29)26-15-13-25(14-16-26)21-6-2-1-3-7-21/h1-3,6-11,19H,4-5,12-17H2.
What are the key properties of [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 395.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3779667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).