1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide

C15H19BrN2O2 — CID 115770176

IUPAC1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(N)=O)CCC2C)ccc1Br
InChIInChI=1S/C15H19BrN2O2/c1-9-7-11(5-6-13(9)16)15(20)18-8-12(14(17)19)4-3-10(18)2/h5-7,10,12H,3-4,8H2,1-2H3,(H2,17,19)
InChIKeyGRQSEHUTAGCFJI-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide

1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 115770176) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
PubChem CID115770176
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(N)=O)CCC2C)ccc1Br
InChIInChI=1S/C15H19BrN2O2/c1-9-7-11(5-6-13(9)16)15(20)18-8-12(14(17)19)4-3-10(18)2/h5-7,10,12H,3-4,8H2,1-2H3,(H2,17,19)
InChIKeyGRQSEHUTAGCFJI-UHFFFAOYSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 60962792
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 93380872
1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 60948058
1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 61292731
(3R,6R)-1-[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]-6-methylpiperidine-3-carboxamide
CID 51957507
(3S,6R)-1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95584966
4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234
6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
CID 107026180
1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47268437
(4-bromo-3-methylphenyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114086848
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide (CID 115770176) is 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(N)=O)CCC2C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is GRQSEHUTAGCFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9-7-11(5-6-13(9)16)15(20)18-8-12(14(17)19)4-3-10(18)2/h5-7,10,12H,3-4,8H2,1-2H3,(H2,17,19).
What are the key properties of 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 115770176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).