3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide

C14H19BrN2O — CID 81472136

IUPAC3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCCN2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-11(8-13(10)15)14(18)17-9-12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyOPZHBECDYSUXOM-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.63
Rot. Bonds3

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

3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 81472136) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
PubChem CID81472136
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCCN2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-11(8-13(10)15)14(18)17-9-12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyOPZHBECDYSUXOM-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide
CID 107990193
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 55084346
1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 113263742
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
N,4-dimethyl-3-(piperidin-2-ylmethylamino)benzamide
CID 106633432
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
4-methyl-3-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514288
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide (CID 81472136) is 3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CCCCN2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is OPZHBECDYSUXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-5-6-11(8-13(10)15)14(18)17-9-12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide?
3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 81472136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).