1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide

C19H20BrFN2O — CID 43922322

IUPAC1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C19H20BrFN2O/c20-16-8-6-14(7-9-16)12-23-10-2-3-15(13-23)19(24)22-18-5-1-4-17(21)11-18/h1,4-9,11,15H,2-3,10,12-13H2,(H,22,24)
InChIKeyIWWJARQBOARZAL-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.44
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide

1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide (PubChem CID 43922322) has the molecular formula C19H20BrFN2O and a molecular weight of 391.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
PubChem CID43922322
Molecular FormulaC19H20BrFN2O
Molecular Weight391.28 g/mol
Exact Mass390.07
IUPAC Name1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C19H20BrFN2O/c20-16-8-6-14(7-9-16)12-23-10-2-3-15(13-23)19(24)22-18-5-1-4-17(21)11-18/h1,4-9,11,15H,2-3,10,12-13H2,(H,22,24)
InChIKeyIWWJARQBOARZAL-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-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43932890
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43922182
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
ethyl 3-[[1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 46774412

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide (CID 43922322) is 1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1cccc(F)c1)C1CCCN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is IWWJARQBOARZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O/c20-16-8-6-14(7-9-16)12-23-10-2-3-15(13-23)19(24)22-18-5-1-4-17(21)11-18/h1,4-9,11,15H,2-3,10,12-13H2,(H,22,24).
What are the key properties of 1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide?
1-[(4-bromophenyl)methyl]-N-(3-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-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43922322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).