3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

C18H26ClN5O3 — CID 119393878

IUPAC3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C18H25N5O3.ClH/c24-16-12-21-18(26)23(16)13-14-3-1-4-15(11-14)17(25)20-5-2-8-22-9-6-19-7-10-22;/h1,3-4,11,19H,2,5-10,12-13H2,(H,20,25)(H,21,26);1H
InChIKeyUMIVQASKKVNXSJ-UHFFFAOYSA-N
MW395.89 g/mol
LogP0.19
Rot. Bonds7

About 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119393878) has the molecular formula C18H26ClN5O3 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119393878
Molecular FormulaC18H26ClN5O3
Molecular Weight395.89 g/mol
Exact Mass395.17
IUPAC Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C18H25N5O3.ClH/c24-16-12-21-18(26)23(16)13-14-3-1-4-15(11-14)17(25)20-5-2-8-22-9-6-19-7-10-22;/h1,3-4,11,19H,2,5-10,12-13H2,(H,20,25)(H,21,26);1H
InChIKeyUMIVQASKKVNXSJ-UHFFFAOYSA-N
XLogP0.19
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 33381394
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 98845228
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392890
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide
CID 82166284
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 119370008

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119393878) is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is UMIVQASKKVNXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3.ClH/c24-16-12-21-18(26)23(16)13-14-3-1-4-15(11-14)17(25)20-5-2-8-22-9-6-19-7-10-22;/h1,3-4,11,19H,2,5-10,12-13H2,(H,20,25)(H,21,26);1H.
What are the key properties of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 395.89 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119393878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).