1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide

C15H19BrN2O2 — CID 103854324

IUPAC1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cccc(C)c2Br)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-5-3-7-12(13(10)16)15(20)18-8-4-6-11(9-18)14(19)17-2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,17,19)
InChIKeyCXHKCCKLDCWIAL-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.36
Rot. Bonds2

About 1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide

1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103854324) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103854324
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cccc(C)c2Br)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-5-3-7-12(13(10)16)15(20)18-8-4-6-11(9-18)14(19)17-2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,17,19)
InChIKeyCXHKCCKLDCWIAL-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

azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194097
(2-bromo-3-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 107983905
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103733703
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103875343
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854325
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
aziridin-1-yl-(2-bromo-3-methylphenyl)methanone
CID 131089589

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide (CID 103854324) is 1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2cccc(C)c2Br)C1.
What is the InChIKey of 1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is CXHKCCKLDCWIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-5-3-7-12(13(10)16)15(20)18-8-4-6-11(9-18)14(19)17-2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
1-(2-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-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103854324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).