N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide

C15H21BrN2O — CID 778184

IUPACN-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-12-5-6-13(11-14(12)16)17-15(19)7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyWZICYQBHCPIKED-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.57
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide

N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 778184) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
PubChem CID778184
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-12-5-6-13(11-14(12)16)17-15(19)7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyWZICYQBHCPIKED-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 90485277
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
ethyl 1-[3-(3-bromo-4-methylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90485325
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide (CID 778184) is N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide is Cc1ccc(NC(=O)CCN2CCCCC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is WZICYQBHCPIKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12-5-6-13(11-14(12)16)17-15(19)7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide?
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 325.25 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 778184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).