N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide

C15H21BrN2O — CID 110859779

IUPACN-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCCN(C)C2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-5-6-13(9-14(11)16)17-15(19)8-12-4-3-7-18(2)10-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyYKKSNCZASAWFFK-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.43
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide

N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide (PubChem CID 110859779) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
PubChem CID110859779
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCCN(C)C2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-5-6-13(9-14(11)16)17-15(19)8-12-4-3-7-18(2)10-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyYKKSNCZASAWFFK-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859696
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884
N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110859269
2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110858213
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-(cyclohexylmethyl)azanium
CID 7450757
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
N-[6-(methylamino)-3-pyridinyl]-2-(1-methylpiperidin-3-yl)acetamide
CID 115274703
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide (CID 110859779) is N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide is Cc1ccc(NC(=O)CC2CCCN(C)C2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide?
The InChIKey is YKKSNCZASAWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-5-6-13(9-14(11)16)17-15(19)8-12-4-3-7-18(2)10-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide?
N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.43, 3 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)-2-(1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 110859779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).