N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide

C13H16BrFN2O2 — CID 171854822

IUPACN-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C13H16BrFN2O2/c1-19-10-4-6-17(7-5-10)13(18)16-9-2-3-11(14)12(15)8-9/h2-3,8,10H,4-7H2,1H3,(H,16,18)
InChIKeyMDPXLIOGEJGRIP-UHFFFAOYSA-N
MW331.19 g/mol
LogP3.23
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide

N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide (PubChem CID 171854822) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
PubChem CID171854822
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C13H16BrFN2O2/c1-19-10-4-6-17(7-5-10)13(18)16-9-2-3-11(14)12(15)8-9/h2-3,8,10H,4-7H2,1H3,(H,16,18)
InChIKeyMDPXLIOGEJGRIP-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 171854816
N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 171854826
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171854841
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide
CID 48643522
4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 65437199
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide (CID 171854822) is N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide?
The InChIKey is MDPXLIOGEJGRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-19-10-4-6-17(7-5-10)13(18)16-9-2-3-11(14)12(15)8-9/h2-3,8,10H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide?
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide has a molecular weight of 331.19 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 171854822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).