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

C15H19BrN2O2 — CID 103854325

IUPAC1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(Br)c(C)c2)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-8-11(5-6-13(10)16)15(20)18-7-3-4-12(9-18)14(19)17-2/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyKUNIRCCEZNENGL-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.36
Rot. Bonds2

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

1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103854325) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103854325
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(Br)c(C)c2)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-8-11(5-6-13(10)16)15(20)18-7-3-4-12(9-18)14(19)17-2/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyKUNIRCCEZNENGL-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
(4-bromo-3-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115770446
1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
methyl (3S)-1-(3-bromo-4-methylbenzoyl)piperidine-3-carboxylate
CID 79458802
1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854324
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339183
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide (CID 103854325) is 1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2ccc(Br)c(C)c2)C1.
What is the InChIKey of 1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is KUNIRCCEZNENGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-8-11(5-6-13(10)16)15(20)18-7-3-4-12(9-18)14(19)17-2/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.36, 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)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103854325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).