2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide

C15H21BrN2O — CID 113339088

IUPAC2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCCN(C)C2)c1Br
InChIInChI=1S/C15H21BrN2O/c1-11-5-3-7-13(14(11)16)15(19)17-9-12-6-4-8-18(2)10-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,17,19)
InChIKeyRKWXWLOUAFVFEC-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.83
Rot. Bonds3

About 2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide

2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 113339088) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
PubChem CID113339088
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCCN(C)C2)c1Br
InChIInChI=1S/C15H21BrN2O/c1-11-5-3-7-13(14(11)16)15(19)17-9-12-6-4-8-18(2)10-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,17,19)
InChIKeyRKWXWLOUAFVFEC-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-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 103765330
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
5-[[(2-bromo-3-methylbenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 107981508
2-bromo-N-[(2-bromocyclohexyl)methyl]-3-methylbenzamide
CID 114024074
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62815794
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide
CID 122159096

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide (CID 113339088) is 2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide is Cc1cccc(C(=O)NCC2CCCN(C)C2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is RKWXWLOUAFVFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-5-3-7-13(14(11)16)15(19)17-9-12-6-4-8-18(2)10-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]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-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 113339088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).