3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide

C14H19BrN2O — CID 81476273

IUPAC3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
SMILESCc1ccc(C(=O)N(C)C2CCCNC2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-11(8-13(10)15)14(18)17(2)12-4-3-7-16-9-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyMAPYESYMDAJKJA-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds2

About 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide

3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide (PubChem CID 81476273) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
PubChem CID81476273
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
SMILESCc1ccc(C(=O)N(C)C2CCCNC2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-11(8-13(10)15)14(18)17(2)12-4-3-7-16-9-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyMAPYESYMDAJKJA-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide
CID 63644238
N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
N,2,4-trimethyl-N-piperidin-3-ylbenzamide
CID 60807214
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 81471710
N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide
CID 63641936
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
3-bromo-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 81471867

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide (CID 81476273) is 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide is Cc1ccc(C(=O)N(C)C2CCCNC2)cc1Br.
What is the InChIKey of 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide?
The InChIKey is MAPYESYMDAJKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-5-6-11(8-13(10)15)14(18)17(2)12-4-3-7-16-9-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide?
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 81476273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).