4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide

C13H17BrFN3O — CID 54902697

IUPAC4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2cc(F)ccc2Br)CC1
InChIInChI=1S/C13H17BrFN3O/c14-12-2-1-10(15)7-9(12)8-17-11-3-5-18(6-4-11)13(16)19/h1-2,7,11,17H,3-6,8H2,(H2,16,19)
InChIKeyGDLXVBBBAKMSJC-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.22
Rot. Bonds3

About 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide

4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide (PubChem CID 54902697) has the molecular formula C13H17BrFN3O and a molecular weight of 330.20 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
PubChem CID54902697
Molecular FormulaC13H17BrFN3O
Molecular Weight330.20 g/mol
Exact Mass329.05
IUPAC Name4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2cc(F)ccc2Br)CC1
InChIInChI=1S/C13H17BrFN3O/c14-12-2-1-10(15)7-9(12)8-17-11-3-5-18(6-4-11)13(16)19/h1-2,7,11,17H,3-6,8H2,(H2,16,19)
InChIKeyGDLXVBBBAKMSJC-UHFFFAOYSA-N
XLogP2.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 71967391
4-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810202
N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103866090
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
(3S)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94650729
(3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94650730
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115777600
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817509
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide (CID 54902697) is 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NCc2cc(F)ccc2Br)CC1.
What is the InChIKey of 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide?
The InChIKey is GDLXVBBBAKMSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN3O/c14-12-2-1-10(15)7-9(12)8-17-11-3-5-18(6-4-11)13(16)19/h1-2,7,11,17H,3-6,8H2,(H2,16,19).
What are the key properties of 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide?
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide has a molecular weight of 330.20 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 54902697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).