1-benzyl-3-(3-piperazin-1-ylpropyl)urea

C15H24N4O — CID 107653368

IUPAC1-benzyl-3-(3-piperazin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCNCC1)NCc1ccccc1
InChIInChI=1S/C15H24N4O/c20-15(18-13-14-5-2-1-3-6-14)17-7-4-10-19-11-8-16-9-12-19/h1-3,5-6,16H,4,7-13H2,(H2,17,18,20)
InChIKeyNEVLNDDJHWXHOE-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.78
Rot. Bonds6

About 1-benzyl-3-(3-piperazin-1-ylpropyl)urea

1-benzyl-3-(3-piperazin-1-ylpropyl)urea (PubChem CID 107653368) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-benzyl-3-(3-piperazin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-piperazin-1-ylpropyl)urea
PubChem CID107653368
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-benzyl-3-(3-piperazin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCNCC1)NCc1ccccc1
InChIInChI=1S/C15H24N4O/c20-15(18-13-14-5-2-1-3-6-14)17-7-4-10-19-11-8-16-9-12-19/h1-3,5-6,16H,4,7-13H2,(H2,17,18,20)
InChIKeyNEVLNDDJHWXHOE-UHFFFAOYSA-N
XLogP0.78
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
2-[(4-chlorophenyl)methylcarbamoylamino]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392063
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-piperazin-1-ylethyl)urea
CID 108889439
3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392623
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394011
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
1-[(2-bromophenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897872
1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897157
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-piperazin-1-ylpropyl)urea?
The IUPAC name of 1-benzyl-3-(3-piperazin-1-ylpropyl)urea (CID 107653368) is 1-benzyl-3-(3-piperazin-1-ylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-piperazin-1-ylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(3-piperazin-1-ylpropyl)urea is O=C(NCCCN1CCNCC1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-piperazin-1-ylpropyl)urea?
The InChIKey is NEVLNDDJHWXHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-15(18-13-14-5-2-1-3-6-14)17-7-4-10-19-11-8-16-9-12-19/h1-3,5-6,16H,4,7-13H2,(H2,17,18,20).
What are the key properties of 1-benzyl-3-(3-piperazin-1-ylpropyl)urea?
1-benzyl-3-(3-piperazin-1-ylpropyl)urea has a molecular weight of 276.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-piperazin-1-ylpropyl)urea is sourced from PubChem (CID 107653368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).