1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide

C22H23BrN2O3 — CID 47020581

IUPAC1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C22H23BrN2O3/c1-24(2)21(27)16-11-13-25(14-12-16)22(28)19-6-4-3-5-18(19)20(26)15-7-9-17(23)10-8-15/h3-10,16H,11-14H2,1-2H3
InChIKeyJYYHPYHOGUFYLP-UHFFFAOYSA-N
MW443.34 g/mol
LogP3.62
Rot. Bonds4

About 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 47020581) has the molecular formula C22H23BrN2O3 and a molecular weight of 443.34 g/mol. Its IUPAC name is 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID47020581
Molecular FormulaC22H23BrN2O3
Molecular Weight443.34 g/mol
Exact Mass442.09
IUPAC Name1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C22H23BrN2O3/c1-24(2)21(27)16-11-13-25(14-12-16)22(28)19-6-4-3-5-18(19)20(26)15-7-9-17(23)10-8-15/h3-10,16H,11-14H2,1-2H3
InChIKeyJYYHPYHOGUFYLP-UHFFFAOYSA-N
XLogP3.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 65309546
[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 126776764
(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone
CID 55868160
[2-(4-benzoyl-1,4-diazepane-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 36616294
(4-bromophenyl)-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methanone
CID 78842568
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 84546564
2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112811335
1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78779541
1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
CID 75428699
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 47020581) is 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is JYYHPYHOGUFYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3/c1-24(2)21(27)16-11-13-25(14-12-16)22(28)19-6-4-3-5-18(19)20(26)15-7-9-17(23)10-8-15/h3-10,16H,11-14H2,1-2H3.
What are the key properties of 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 443.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 47020581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).