3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C16H25Cl2N3O2 — CID 119391836

IUPAC3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCOc1ccccc1Cl)NCCCN1CCNCC1
InChIInChI=1S/C16H24ClN3O2.ClH/c17-14-4-1-2-5-15(14)22-13-6-16(21)19-7-3-10-20-11-8-18-9-12-20;/h1-2,4-5,18H,3,6-13H2,(H,19,21);1H
InChIKeyNGAVYEDTZNXNMR-UHFFFAOYSA-N
MW362.30 g/mol
LogP1.94
Rot. Bonds8

About 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119391836) has the molecular formula C16H25Cl2N3O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119391836
Molecular FormulaC16H25Cl2N3O2
Molecular Weight362.30 g/mol
Exact Mass361.13
IUPAC Name3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCOc1ccccc1Cl)NCCCN1CCNCC1
InChIInChI=1S/C16H24ClN3O2.ClH/c17-14-4-1-2-5-15(14)22-13-6-16(21)19-7-3-10-20-11-8-18-9-12-20;/h1-2,4-5,18H,3,6-13H2,(H,19,21);1H
InChIKeyNGAVYEDTZNXNMR-UHFFFAOYSA-N
XLogP1.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride 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

4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
3-(3,5-dimethylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393354
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392699
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119391836) is 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is Cl.O=C(CCOc1ccccc1Cl)NCCCN1CCNCC1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is NGAVYEDTZNXNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2.ClH/c17-14-4-1-2-5-15(14)22-13-6-16(21)19-7-3-10-20-11-8-18-9-12-20;/h1-2,4-5,18H,3,6-13H2,(H,19,21);1H.
What are the key properties of 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 362.30 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119391836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).