2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide

C14H18Br2N2O — CID 107940298

IUPAC2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCN(CC1CCCNC1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O/c1-18(9-10-3-2-6-17-8-10)14(19)12-5-4-11(15)7-13(12)16/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyZPIQJOKNFJDOCU-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.28
Rot. Bonds3

About 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide

2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 107940298) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID107940298
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCN(CC1CCCNC1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O/c1-18(9-10-3-2-6-17-8-10)14(19)12-5-4-11(15)7-13(12)16/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyZPIQJOKNFJDOCU-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 107940298) is 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide is CN(CC1CCCNC1)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is ZPIQJOKNFJDOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-18(9-10-3-2-6-17-8-10)14(19)12-5-4-11(15)7-13(12)16/h4-5,7,10,17H,2-3,6,8-9H2,1H3.
What are the key properties of 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 390.12 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 107940298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).