1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide

C13H14BrFN2O2 — CID 24699357

IUPAC1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H14BrFN2O2/c14-9-1-2-11(15)10(7-9)13(19)17-5-3-8(4-6-17)12(16)18/h1-2,7-8H,3-6H2,(H2,16,18)
InChIKeyNVACUIKMFIYVRF-UHFFFAOYSA-N
MW329.17 g/mol
LogP1.93
Rot. Bonds2

About 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide

1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 24699357) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID24699357
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H14BrFN2O2/c14-9-1-2-11(15)10(7-9)13(19)17-5-3-8(4-6-17)12(16)18/h1-2,7-8H,3-6H2,(H2,16,18)
InChIKeyNVACUIKMFIYVRF-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
1-(5-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63006897
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-bromo-2-fluorophenyl)methanone
CID 9295328
(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide (CID 24699357) is 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(Br)ccc2F)CC1.
What is the InChIKey of 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is NVACUIKMFIYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c14-9-1-2-11(15)10(7-9)13(19)17-5-3-8(4-6-17)12(16)18/h1-2,7-8H,3-6H2,(H2,16,18).
What are the key properties of 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide?
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 329.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 24699357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).