3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide

C17H27N3O2 — CID 119447863

IUPAC3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C17H27N3O2/c1-14-11-15(2)13-16(12-14)22-10-3-17(21)19-6-9-20-7-4-18-5-8-20/h11-13,18H,3-10H2,1-2H3,(H,19,21)
InChIKeyFLXZCUPSSPKVAK-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.09
Rot. Bonds7

About 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide

3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119447863) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119447863
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C17H27N3O2/c1-14-11-15(2)13-16(12-14)22-10-3-17(21)19-6-9-20-7-4-18-5-8-20/h11-13,18H,3-10H2,1-2H3,(H,19,21)
InChIKeyFLXZCUPSSPKVAK-UHFFFAOYSA-N
XLogP1.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide 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

3-(3,5-dimethylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393354
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
CID 119447728
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
N-(2-piperazin-1-ylethyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119445635
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266630
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide (CID 119447863) is 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide is Cc1cc(C)cc(OCCC(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is FLXZCUPSSPKVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-11-15(2)13-16(12-14)22-10-3-17(21)19-6-9-20-7-4-18-5-8-20/h11-13,18H,3-10H2,1-2H3,(H,19,21).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119447863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).