[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone

C22H23BrFN3O3 — CID 55789308

IUPAC[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H23BrFN3O3/c23-18-14-16(24)7-8-19(18)30-20-17(6-3-9-25-20)22(29)27-12-10-26(11-13-27)21(28)15-4-1-2-5-15/h3,6-9,14-15H,1-2,4-5,10-13H2
InChIKeyIWSDDUZAFFDJKX-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.25
Rot. Bonds4

About [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone

[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 55789308) has the molecular formula C22H23BrFN3O3 and a molecular weight of 476.35 g/mol. Its IUPAC name is [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID55789308
Molecular FormulaC22H23BrFN3O3
Molecular Weight476.35 g/mol
Exact Mass475.09
IUPAC Name[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H23BrFN3O3/c23-18-14-16(24)7-8-19(18)30-20-17(6-3-9-25-20)22(29)27-12-10-26(11-13-27)21(28)15-4-1-2-5-15/h3,6-9,14-15H,1-2,4-5,10-13H2
InChIKeyIWSDDUZAFFDJKX-UHFFFAOYSA-N
XLogP4.25
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 39402025
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 71893565
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74242509
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 55687326
[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone (CID 55789308) is [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone is O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is IWSDDUZAFFDJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrFN3O3/c23-18-14-16(24)7-8-19(18)30-20-17(6-3-9-25-20)22(29)27-12-10-26(11-13-27)21(28)15-4-1-2-5-15/h3,6-9,14-15H,1-2,4-5,10-13H2.
What are the key properties of [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone?
[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 476.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 55789308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).