N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide

C18H28N4O2 — CID 119394389

IUPACN-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C18H28N4O2/c23-17(20-10-5-13-22-14-11-19-12-15-22)8-4-9-21-18(24)16-6-2-1-3-7-16/h1-3,6-7,19H,4-5,8-15H2,(H,20,23)(H,21,24)
InChIKeyVLXZDYXBNRAOFV-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.61
Rot. Bonds9

About N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide

N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide (PubChem CID 119394389) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
PubChem CID119394389
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C18H28N4O2/c23-17(20-10-5-13-22-14-11-19-12-15-22)8-4-9-21-18(24)16-6-2-1-3-7-16/h1-3,6-7,19H,4-5,8-15H2,(H,20,23)(H,21,24)
InChIKeyVLXZDYXBNRAOFV-UHFFFAOYSA-N
XLogP0.61
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
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
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide
CID 119446128
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210
N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119390719
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]benzamide
CID 119418551

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide?
The IUPAC name of N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide (CID 119394389) is N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NCCCN1CCNCC1.
What is the InChIKey of N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide?
The InChIKey is VLXZDYXBNRAOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17(20-10-5-13-22-14-11-19-12-15-22)8-4-9-21-18(24)16-6-2-1-3-7-16/h1-3,6-7,19H,4-5,8-15H2,(H,20,23)(H,21,24).
What are the key properties of N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide?
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide has a molecular weight of 332.45 g/mol, XLogP of 0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide is sourced from PubChem (CID 119394389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).