4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

C17H26ClN3O2 — CID 119394229

IUPAC4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCl.O=C(CCC(=O)c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C17H25N3O2.ClH/c21-16(15-5-2-1-3-6-15)7-8-17(22)19-9-4-12-20-13-10-18-11-14-20;/h1-3,5-6,18H,4,7-14H2,(H,19,22);1H
InChIKeyRCGKGAATSQNBKY-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.48
Rot. Bonds8

About 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (PubChem CID 119394229) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
PubChem CID119394229
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCl.O=C(CCC(=O)c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C17H25N3O2.ClH/c21-16(15-5-2-1-3-6-15)7-8-17(22)19-9-4-12-20-13-10-18-11-14-20;/h1-3,5-6,18H,4,7-14H2,(H,19,22);1H
InChIKeyRCGKGAATSQNBKY-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.48
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

N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
tert-butyl 4-[3-[(4-oxo-4-phenylbutanoyl)amino]propyl]piperazine-1-carboxylate
CID 55866663
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
4-(2,5-dimethylphenyl)-4-oxo-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392750
3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391157
4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119448841
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394011
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119390719

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (CID 119394229) is 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is Cl.O=C(CCC(=O)c1ccccc1)NCCCN1CCNCC1.
What is the InChIKey of 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is RCGKGAATSQNBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c21-16(15-5-2-1-3-6-15)7-8-17(22)19-9-4-12-20-13-10-18-11-14-20;/h1-3,5-6,18H,4,7-14H2,(H,19,22);1H.
What are the key properties of 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119394229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).