N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide

C14H19BrN2O — CID 6467567

IUPACN-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O/c1-10-7-11(2)9-17(8-10)14(18)16-13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)
InChIKeyCRZIGQCEMAYOOD-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.96
Rot. Bonds1

About N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide

N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 6467567) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID6467567
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O/c1-10-7-11(2)9-17(8-10)14(18)16-13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)
InChIKeyCRZIGQCEMAYOOD-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide (CID 6467567) is N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide is CC1CC(C)CN(C(=O)Nc2ccc(Br)cc2)C1.
What is the InChIKey of N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is CRZIGQCEMAYOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-7-11(2)9-17(8-10)14(18)16-13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide?
N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 6467567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).