N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide

C15H18BrFN2O2 — CID 106544278

IUPACN-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C15H18BrFN2O2/c1-2-13(20)18-10-6-8-19(9-7-10)15(21)11-4-3-5-12(16)14(11)17/h3-5,10H,2,6-9H2,1H3,(H,18,20)
InChIKeyFNMDIMTZFQJZTO-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.72
Rot. Bonds3

About N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide

N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 106544278) has the molecular formula C15H18BrFN2O2 and a molecular weight of 357.22 g/mol. Its IUPAC name is N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID106544278
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC NameN-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C15H18BrFN2O2/c1-2-13(20)18-10-6-8-19(9-7-10)15(21)11-4-3-5-12(16)14(11)17/h3-5,10H,2,6-9H2,1H3,(H,18,20)
InChIKeyFNMDIMTZFQJZTO-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 103754574
N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide
CID 103882520
(3-bromo-2-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 106544396
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352
N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549654
(3-bromo-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106544432
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
CID 108558019
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
(3-bromo-2-fluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107952535

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide (CID 106544278) is N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)c2cccc(Br)c2F)CC1.
What is the InChIKey of N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is FNMDIMTZFQJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c1-2-13(20)18-10-6-8-19(9-7-10)15(21)11-4-3-5-12(16)14(11)17/h3-5,10H,2,6-9H2,1H3,(H,18,20).
What are the key properties of N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide?
N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 357.22 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 106544278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).