2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide

C15H21BrN2O — CID 107983274

IUPAC2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(C)CC2CCCNC2)c1Br
InChIInChI=1S/C15H21BrN2O/c1-11-5-3-7-13(14(11)16)15(19)18(2)10-12-6-4-8-17-9-12/h3,5,7,12,17H,4,6,8-10H2,1-2H3
InChIKeyVZYRXEPPDZSNCV-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.83
Rot. Bonds3

About 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide

2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 107983274) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID107983274
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(C)CC2CCCNC2)c1Br
InChIInChI=1S/C15H21BrN2O/c1-11-5-3-7-13(14(11)16)15(19)18(2)10-12-6-4-8-17-9-12/h3,5,7,12,17H,4,6,8-10H2,1-2H3
InChIKeyVZYRXEPPDZSNCV-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 84606471
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide
CID 106627688
3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629324

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide (CID 107983274) is 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide is Cc1cccc(C(=O)N(C)CC2CCCNC2)c1Br.
What is the InChIKey of 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is VZYRXEPPDZSNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-5-3-7-13(14(11)16)15(19)18(2)10-12-6-4-8-17-9-12/h3,5,7,12,17H,4,6,8-10H2,1-2H3.
What are the key properties of 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide?
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 325.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 107983274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).