[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone

C15H16BrFN2O2 — CID 103706428

IUPAC[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(F)c(Br)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H16BrFN2O2/c16-12-9-11(3-4-13(12)17)15(21)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyBGNCOWXHCVFBSZ-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.28
Rot. Bonds2

About [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone

[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 103706428) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID103706428
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(F)c(Br)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H16BrFN2O2/c16-12-9-11(3-4-13(12)17)15(21)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyBGNCOWXHCVFBSZ-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
CID 103707230
1-[4-(3-bromo-4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 103706987
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528
(3-bromo-4-fluorophenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 103707510
4-[1-(3,4-difluorobenzoyl)piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003785

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone (CID 103706428) is [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone is O=C(c1ccc(F)c(Br)c1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is BGNCOWXHCVFBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c16-12-9-11(3-4-13(12)17)15(21)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 355.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 103706428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).