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

C15H18BrFN2O2 — CID 106544352

IUPACN-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C15H18BrFN2O2/c1-10(20)18-9-11-5-7-19(8-6-11)15(21)12-3-2-4-13(16)14(12)17/h2-4,11H,5-9H2,1H3,(H,18,20)
InChIKeyFTTOROUVVGZCOT-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.58
Rot. Bonds3

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

N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 106544352) 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]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID106544352
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC NameN-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C15H18BrFN2O2/c1-10(20)18-9-11-5-7-19(8-6-11)15(21)12-3-2-4-13(16)14(12)17/h2-4,11H,5-9H2,1H3,(H,18,20)
InChIKeyFTTOROUVVGZCOT-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 106544278
(3-bromo-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106544432
N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 113223577
(3-bromo-2-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 106544396
N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
CID 102736730
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
CID 107036683
1-[4-(3-bromo-2-fluorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 106547862
N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
CID 136578590
(3-bromo-2-fluorophenyl)-[3-(bromomethyl)piperidin-1-yl]methanone
CID 107956609
(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]methyl]acetamide?
The IUPAC name of N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide (CID 106544352) is N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2cccc(Br)c2F)CC1.
What is the InChIKey of N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is FTTOROUVVGZCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c1-10(20)18-9-11-5-7-19(8-6-11)15(21)12-3-2-4-13(16)14(12)17/h2-4,11H,5-9H2,1H3,(H,18,20).
What are the key properties of N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 357.22 g/mol, XLogP of 2.58, 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]methyl]acetamide is sourced from PubChem (CID 106544352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).