1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide

C19H20BrFN2O — CID 43925035

IUPAC1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H20BrFN2O/c20-16-8-9-18(17(21)11-16)22-19(24)15-7-4-10-23(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,22,24)
InChIKeyGZPYWSSHYAOUBY-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.44
Rot. Bonds4

About 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide

1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 43925035) has the molecular formula C19H20BrFN2O and a molecular weight of 391.28 g/mol. Its IUPAC name is 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
PubChem CID43925035
Molecular FormulaC19H20BrFN2O
Molecular Weight391.28 g/mol
Exact Mass390.07
IUPAC Name1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H20BrFN2O/c20-16-8-9-18(17(21)11-16)22-19(24)15-7-4-10-23(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,22,24)
InChIKeyGZPYWSSHYAOUBY-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
(3S)-1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 27160447
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
N-(4-bromo-2-fluorophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934234
N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide (CID 43925035) is 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1F)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is GZPYWSSHYAOUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O/c20-16-8-9-18(17(21)11-16)22-19(24)15-7-4-10-23(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,22,24).
What are the key properties of 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide?
1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 391.28 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43925035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).