N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride

C16H25ClN4O2 — CID 119393183

IUPACN-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
SMILESCl.O=C(CNC(=O)c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C16H24N4O2.ClH/c21-15(13-19-16(22)14-5-2-1-3-6-14)18-7-4-10-20-11-8-17-9-12-20;/h1-3,5-6,17H,4,7-13H2,(H,18,21)(H,19,22);1H
InChIKeyCRZOFFHAOGXFRY-UHFFFAOYSA-N
MW340.85 g/mol
LogP0.25
Rot. Bonds7

About N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride

N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride (PubChem CID 119393183) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
PubChem CID119393183
Molecular FormulaC16H25ClN4O2
Molecular Weight340.85 g/mol
Exact Mass340.17
IUPAC NameN-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
SMILESCl.O=C(CNC(=O)c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C16H24N4O2.ClH/c21-15(13-19-16(22)14-5-2-1-3-6-14)18-7-4-10-20-11-8-17-9-12-20;/h1-3,5-6,17H,4,7-13H2,(H,18,21)(H,19,22);1H
InChIKeyCRZOFFHAOGXFRY-UHFFFAOYSA-N
XLogP0.25
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 50.25
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

N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119390719
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride (CID 119393183) is N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride is Cl.O=C(CNC(=O)c1ccccc1)NCCCN1CCNCC1.
What is the InChIKey of N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride?
The InChIKey is CRZOFFHAOGXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c21-15(13-19-16(22)14-5-2-1-3-6-14)18-7-4-10-20-11-8-17-9-12-20;/h1-3,5-6,17H,4,7-13H2,(H,18,21)(H,19,22);1H.
What are the key properties of N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride?
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119393183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).