2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

C17H28ClN3O2 — CID 119394011

IUPAC2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COCCc1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C17H27N3O2.ClH/c21-17(15-22-14-7-16-5-2-1-3-6-16)19-8-4-11-20-12-9-18-10-13-20;/h1-3,5-6,18H,4,7-15H2,(H,19,21);1H
InChIKeyFQHBLBWZQHRHGH-UHFFFAOYSA-N
MW341.88 g/mol
LogP1.08
Rot. Bonds9

About 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 119394011) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID119394011
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COCCc1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C17H27N3O2.ClH/c21-17(15-22-14-7-16-5-2-1-3-6-16)19-8-4-11-20-12-9-18-10-13-20;/h1-3,5-6,18H,4,7-15H2,(H,19,21);1H
InChIKeyFQHBLBWZQHRHGH-UHFFFAOYSA-N
XLogP1.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 51.08
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

2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392623
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392853
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 119394011) is 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(COCCc1ccccc1)NCCCN1CCNCC1.
What is the InChIKey of 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is FQHBLBWZQHRHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c21-17(15-22-14-7-16-5-2-1-3-6-16)19-8-4-11-20-12-9-18-10-13-20;/h1-3,5-6,18H,4,7-15H2,(H,19,21);1H.
What are the key properties of 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119394011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).