1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide

C15H19BrN2O2 — CID 110671730

IUPAC1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(C)cc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O2/c1-10-7-13(16)9-14(8-10)17-15(20)12-3-5-18(6-4-12)11(2)19/h7-9,12H,3-6H2,1-2H3,(H,17,20)
InChIKeyODKYFCPTIQTBST-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.95
Rot. Bonds2

About 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide

1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide (PubChem CID 110671730) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
PubChem CID110671730
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(C)cc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O2/c1-10-7-13(16)9-14(8-10)17-15(20)12-3-5-18(6-4-12)11(2)19/h7-9,12H,3-6H2,1-2H3,(H,17,20)
InChIKeyODKYFCPTIQTBST-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
CID 110604732
4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56923353
1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide
CID 43018274
3-[(3-bromo-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577284
1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 104938731
N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 104938577
1-(4-tert-butylbenzoyl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006485
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 1327310
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide (CID 110671730) is 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc(C)cc(Br)c2)CC1.
What is the InChIKey of 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide?
The InChIKey is ODKYFCPTIQTBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-7-13(16)9-14(8-10)17-15(20)12-3-5-18(6-4-12)11(2)19/h7-9,12H,3-6H2,1-2H3,(H,17,20).
What are the key properties of 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 110671730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).