N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C14H17BrN2O2 — CID 112728718

IUPACN-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H17BrN2O2/c1-17(9-10-2-5-12(15)6-3-10)14(19)11-4-7-13(18)16-8-11/h2-3,5-6,11H,4,7-9H2,1H3,(H,16,18)
InChIKeyZEOGEVMIBUQURD-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.93
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 112728718) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID112728718
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H17BrN2O2/c1-17(9-10-2-5-12(15)6-3-10)14(19)11-4-7-13(18)16-8-11/h2-3,5-6,11H,4,7-9H2,1H3,(H,16,18)
InChIKeyZEOGEVMIBUQURD-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728353
N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 94152924
N-methyl-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 74878818
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 109400314
N-[(4-bromophenyl)methyl]-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864977
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
N-methyl-6-oxo-N-(piperidin-4-ylmethyl)piperidine-3-carboxamide
CID 83192838
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 81484591
N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 115691430
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119655986
N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982133

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 112728718) is N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is ZEOGEVMIBUQURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-17(9-10-2-5-12(15)6-3-10)14(19)11-4-7-13(18)16-8-11/h2-3,5-6,11H,4,7-9H2,1H3,(H,16,18).
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112728718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).