N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide

C13H16BrFN2O — CID 63121522

IUPACN-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)cc2F)CCNCC1
InChIInChI=1S/C13H16BrFN2O/c1-13(4-6-16-7-5-13)12(18)17-11-3-2-9(14)8-10(11)15/h2-3,8,16H,4-7H2,1H3,(H,17,18)
InChIKeyGUVDPVJDMUVTIU-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.92
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide

N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 63121522) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
PubChem CID63121522
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)cc2F)CCNCC1
InChIInChI=1S/C13H16BrFN2O/c1-13(4-6-16-7-5-13)12(18)17-11-3-2-9(14)8-10(11)15/h2-3,8,16H,4-7H2,1H3,(H,17,18)
InChIKeyGUVDPVJDMUVTIU-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
CID 81291548
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937
N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63142327
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 170264995
N-(2-bromo-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 63121705
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700
4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
CID 55177366
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide (CID 63121522) is N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)Nc2ccc(Br)cc2F)CCNCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is GUVDPVJDMUVTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-13(4-6-16-7-5-13)12(18)17-11-3-2-9(14)8-10(11)15/h2-3,8,16H,4-7H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63121522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).