1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide

C14H16BrN3O — CID 82797388

IUPAC1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(C#N)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-17-14(19)13-4-2-3-7-18(13)12-6-5-10(9-16)8-11(12)15/h5-6,8,13H,2-4,7H2,1H3,(H,17,19)
InChIKeyVYZLDTINTUWASM-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.43
Rot. Bonds2

About 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide

1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide (PubChem CID 82797388) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide
PubChem CID82797388
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(C#N)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-17-14(19)13-4-2-3-7-18(13)12-6-5-10(9-16)8-11(12)15/h5-6,8,13H,2-4,7H2,1H3,(H,17,19)
InChIKeyVYZLDTINTUWASM-UHFFFAOYSA-N
XLogP2.43
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-cyanophenyl)-N-methylpyrrolidine-2-carboxamide
CID 82797077
1-(2-bromo-4-cyanophenyl)-N-methylpiperazine-2-carboxamide
CID 82810558
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 54985330
3-bromo-4-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 82810078
1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 63094081
4-(2-bromo-4-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098057
1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656955
1-(4-amino-3-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 115499282
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-bromobenzonitrile
CID 82796884
1-(4-cyano-2-methylphenyl)pyrrolidine-2-carboxylic acid
CID 60930016
4-(azepan-1-yl)-3-bromobenzonitrile
CID 79018836
4-(azocan-1-yl)-3-bromobenzonitrile
CID 79018837

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide (CID 82797388) is 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1ccc(C#N)cc1Br.
What is the InChIKey of 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is VYZLDTINTUWASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-17-14(19)13-4-2-3-7-18(13)12-6-5-10(9-16)8-11(12)15/h5-6,8,13H,2-4,7H2,1H3,(H,17,19).
What are the key properties of 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide?
1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 82797388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).