N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide

C14H20BrN3O — CID 687138

IUPACN-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN3O/c1-17-7-9-18(10-8-17)6-5-14(19)16-13-4-2-3-12(15)11-13/h2-4,11H,5-10H2,1H3,(H,16,19)
InChIKeyPMDWIEBTNRBTOF-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.03
Rot. Bonds4

About N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 687138) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID687138
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN3O/c1-17-7-9-18(10-8-17)6-5-14(19)16-13-4-2-3-12(15)11-13/h2-4,11H,5-10H2,1H3,(H,16,19)
InChIKeyPMDWIEBTNRBTOF-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 687138) is N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is PMDWIEBTNRBTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-17-7-9-18(10-8-17)6-5-14(19)16-13-4-2-3-12(15)11-13/h2-4,11H,5-10H2,1H3,(H,16,19).
What are the key properties of N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 326.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 687138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).