1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide

C16H21BrN2O2 — CID 65309546

IUPAC1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1ccc(Br)cc1C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C16H21BrN2O2/c1-11-4-5-13(17)10-14(11)16(21)19-8-6-12(7-9-19)15(20)18(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyLZYDCNJESBIGDD-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.70
Rot. Bonds2

About 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide

1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 65309546) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID65309546
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1ccc(Br)cc1C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C16H21BrN2O2/c1-11-4-5-13(17)10-14(11)16(21)19-8-6-12(7-9-19)15(20)18(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyLZYDCNJESBIGDD-UHFFFAOYSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylphenyl)-(4-chloropiperidin-1-yl)methanone
CID 65309510
1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 84546564
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871730
(5-bromo-2-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 65309140
1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 47020581
(5-bromo-2-methylphenyl)-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80668298
1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 134062050
1-(2-amino-5-chlorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61106212
(5-bromo-2-methylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 65309336
(5-bromo-2-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119635913
(5-bromo-2-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 65309799
1-[2-[(5-bromo-2-methylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236165

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide (CID 65309546) is 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide is Cc1ccc(Br)cc1C(=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is LZYDCNJESBIGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-11-4-5-13(17)10-14(11)16(21)19-8-6-12(7-9-19)15(20)18(2)3/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 65309546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).