3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C15H21BrN2O — CID 104852574

IUPAC3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCc1cc(Br)cc(C(=O)NCC2CCN(C)CC2)c1
InChIInChI=1S/C15H21BrN2O/c1-11-7-13(9-14(16)8-11)15(19)17-10-12-3-5-18(2)6-4-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyGZNFXSRWIIZKQF-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.83
Rot. Bonds3

About 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide

3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 104852574) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID104852574
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCc1cc(Br)cc(C(=O)NCC2CCN(C)CC2)c1
InChIInChI=1S/C15H21BrN2O/c1-11-7-13(9-14(16)8-11)15(19)17-10-12-3-5-18(2)6-4-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyGZNFXSRWIIZKQF-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

3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 104852532
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 130216559
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 79965148
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 104852406
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 51093597
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 104852574) is 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide is Cc1cc(Br)cc(C(=O)NCC2CCN(C)CC2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is GZNFXSRWIIZKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-7-13(9-14(16)8-11)15(19)17-10-12-3-5-18(2)6-4-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,19).
What are the key properties of 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
3-bromo-5-methyl-N-[(1-methylpiperidin-4-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 3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 104852574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).