4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide

C13H15Br3N2O — CID 114422755

IUPAC4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C13H15Br3N2O/c1-7-2-3-17-11(4-7)13(19)18-12-9(15)5-8(14)6-10(12)16/h5-7,11,17H,2-4H2,1H3,(H,18,19)
InChIKeyLIONYLPSCPWFFB-UHFFFAOYSA-N
MW454.99 g/mol
LogP4.30
Rot. Bonds2

About 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide

4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide (PubChem CID 114422755) has the molecular formula C13H15Br3N2O and a molecular weight of 454.99 g/mol. Its IUPAC name is 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide
PubChem CID114422755
Molecular FormulaC13H15Br3N2O
Molecular Weight454.99 g/mol
Exact Mass451.87
IUPAC Name4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C13H15Br3N2O/c1-7-2-3-17-11(4-7)13(19)18-12-9(15)5-8(14)6-10(12)16/h5-7,11,17H,2-4H2,1H3,(H,18,19)
InChIKeyLIONYLPSCPWFFB-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.99
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107600020
N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107611804
4-bromo-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114423645
N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 114424428
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423130
4-methylpiperidine-2-carbohydrazide
CID 114424068
N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
CID 43126702
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423070
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 114424585

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide (CID 114422755) is 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide is CC1CCNC(C(=O)Nc2c(Br)cc(Br)cc2Br)C1.
What is the InChIKey of 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide?
The InChIKey is LIONYLPSCPWFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br3N2O/c1-7-2-3-17-11(4-7)13(19)18-12-9(15)5-8(14)6-10(12)16/h5-7,11,17H,2-4H2,1H3,(H,18,19).
What are the key properties of 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide?
4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide has a molecular weight of 454.99 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 114422755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).