2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C18H23BrFN3O2 — CID 30543785

IUPAC2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2cc(Br)ccc2F)CC1)N1CCCCC1
InChIInChI=1S/C18H23BrFN3O2/c19-14-4-5-16(20)15(12-14)18(25)23-10-8-21(9-11-23)13-17(24)22-6-2-1-3-7-22/h4-5,12H,1-3,6-11,13H2
InChIKeyFJFJNNNQEVMWLM-UHFFFAOYSA-N
MW412.30 g/mol
LogP2.36
Rot. Bonds3

About 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 30543785) has the molecular formula C18H23BrFN3O2 and a molecular weight of 412.30 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID30543785
Molecular FormulaC18H23BrFN3O2
Molecular Weight412.30 g/mol
Exact Mass411.10
IUPAC Name2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2cc(Br)ccc2F)CC1)N1CCCCC1
InChIInChI=1S/C18H23BrFN3O2/c19-14-4-5-16(20)15(12-14)18(25)23-10-8-21(9-11-23)13-17(24)22-6-2-1-3-7-22/h4-5,12H,1-3,6-11,13H2
InChIKeyFJFJNNNQEVMWLM-UHFFFAOYSA-N
XLogP2.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
1-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]butan-1-one
CID 110800096
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(5-bromo-2-fluorophenyl)prop-2-en-1-one
CID 55440994
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
1-(5-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 24710129
(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642632
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 60510749
2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 30543785) is 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(C(=O)c2cc(Br)ccc2F)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is FJFJNNNQEVMWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrFN3O2/c19-14-4-5-16(20)15(12-14)18(25)23-10-8-21(9-11-23)13-17(24)22-6-2-1-3-7-22/h4-5,12H,1-3,6-11,13H2.
What are the key properties of 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 412.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 30543785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).