1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide

C14H18BrFN2O — CID 79673021

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H18BrFN2O/c1-17-14(19)13-4-2-3-5-18(13)9-10-6-11(15)8-12(16)7-10/h6-8,13H,2-5,9H2,1H3,(H,17,19)
InChIKeyNBDCFUTXVUZDAO-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.69
Rot. Bonds3

About 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide

1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 79673021) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID79673021
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H18BrFN2O/c1-17-14(19)13-4-2-3-5-18(13)9-10-6-11(15)8-12(16)7-10/h6-8,13H,2-5,9H2,1H3,(H,17,19)
InChIKeyNBDCFUTXVUZDAO-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 79698660
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978718
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340107
1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103760645
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 79697599
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-[(3-bromo-5-fluorophenyl)methyl]-2-(2-chloropropyl)pyrrolidine
CID 112747891
methyl (3S)-1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673936

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 79673021) is 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is NBDCFUTXVUZDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-17-14(19)13-4-2-3-5-18(13)9-10-6-11(15)8-12(16)7-10/h6-8,13H,2-5,9H2,1H3,(H,17,19).
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 329.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 79673021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).