N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide

C14H19BrN2O — CID 110862884

IUPACN-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(CC(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O/c1-17-7-3-4-11(10-17)8-14(18)16-13-6-2-5-12(15)9-13/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,16,18)
InChIKeyAPZNPXZODVKJPW-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.12
Rot. Bonds3

About N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide

N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide (PubChem CID 110862884) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
PubChem CID110862884
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(CC(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O/c1-17-7-3-4-11(10-17)8-14(18)16-13-6-2-5-12(15)9-13/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,16,18)
InChIKeyAPZNPXZODVKJPW-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.12
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-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859779
N-(3-bromophenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110862888
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60920962
N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide
CID 60857365
N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942837
N-(2-fluorophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110858575
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110858213
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide (CID 110862884) is N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide is CN1CCCC(CC(=O)Nc2cccc(Br)c2)C1.
What is the InChIKey of N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide?
The InChIKey is APZNPXZODVKJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17-7-3-4-11(10-17)8-14(18)16-13-6-2-5-12(15)9-13/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide?
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide has a molecular weight of 311.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 110862884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).