N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide

C18H25BrN2O2 — CID 113132644

IUPACN-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(C(C)=O)c1cccc(Br)c1
InChIInChI=1S/C18H25BrN2O2/c1-3-16-8-4-5-11-21(16)18(23)10-12-20(14(2)22)17-9-6-7-15(19)13-17/h6-7,9,13,16H,3-5,8,10-12H2,1-2H3
InChIKeyUGOBJVVGQHYRCK-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.98
Rot. Bonds5

About N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide

N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113132644) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113132644
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC NameN-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(C(C)=O)c1cccc(Br)c1
InChIInChI=1S/C18H25BrN2O2/c1-3-16-8-4-5-11-21(16)18(23)10-12-20(14(2)22)17-9-6-7-15(19)13-17/h6-7,9,13,16H,3-5,8,10-12H2,1-2H3
InChIKeyUGOBJVVGQHYRCK-UHFFFAOYSA-N
XLogP3.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128945
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113128682
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208
N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131127
N-(2,3-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134315
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)acetamide
CID 113123611
N-(3-bromophenyl)-N-propylacetamide
CID 67272874
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 42885187
N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113177878
N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108952293

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113132644) is N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide is CCC1CCCCN1C(=O)CCN(C(C)=O)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is UGOBJVVGQHYRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-3-16-8-4-5-11-21(16)18(23)10-12-20(14(2)22)17-9-6-7-15(19)13-17/h6-7,9,13,16H,3-5,8,10-12H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 381.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113132644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).