3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C17H28ClN3O2 — CID 119393865

IUPAC3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCOc1cccc(CCC(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-22-16-5-2-4-15(14-16)6-7-17(21)19-8-3-11-20-12-9-18-10-13-20;/h2,4-5,14,18H,3,6-13H2,1H3,(H,19,21);1H
InChIKeyKSXSEFUAMDPBAO-UHFFFAOYSA-N
MW341.88 g/mol
LogP1.46
Rot. Bonds8

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

3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119393865) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119393865
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCOc1cccc(CCC(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-22-16-5-2-4-15(14-16)6-7-17(21)19-8-3-11-20-12-9-18-10-13-20;/h2,4-5,14,18H,3,6-13H2,1H3,(H,19,21);1H
InChIKeyKSXSEFUAMDPBAO-UHFFFAOYSA-N
XLogP1.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393763
2-[3-[(2-methylphenyl)methoxy]phenyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119390993
N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119393865) is 3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is COc1cccc(CCC(=O)NCCCN2CCNCC2)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is KSXSEFUAMDPBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-22-16-5-2-4-15(14-16)6-7-17(21)19-8-3-11-20-12-9-18-10-13-20;/h2,4-5,14,18H,3,6-13H2,1H3,(H,19,21);1H.
What are the key properties of 3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119393865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).