1-ethenyl-3-(2-piperazin-1-ylethyl)urea

C9H18N4O — CID 108909147

IUPAC1-ethenyl-3-(2-piperazin-1-ylethyl)urea
SMILESC=CNC(=O)NCCN1CCNCC1
InChIInChI=1S/C9H18N4O/c1-2-11-9(14)12-5-8-13-6-3-10-4-7-13/h2,10H,1,3-8H2,(H2,11,12,14)
InChIKeyCFXQCMDJNHVLBG-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.67
Rot. Bonds4

About 1-ethenyl-3-(2-piperazin-1-ylethyl)urea

1-ethenyl-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108909147) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-ethenyl-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-ethenyl-3-(2-piperazin-1-ylethyl)urea
PubChem CID108909147
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-ethenyl-3-(2-piperazin-1-ylethyl)urea
SMILESC=CNC(=O)NCCN1CCNCC1
InChIInChI=1S/C9H18N4O/c1-2-11-9(14)12-5-8-13-6-3-10-4-7-13/h2,10H,1,3-8H2,(H2,11,12,14)
InChIKeyCFXQCMDJNHVLBG-UHFFFAOYSA-N
XLogP-0.67
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108910627
1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea
CID 108915794
1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108915421
1-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)urea
CID 108865910
4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 61408408
ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
CID 170730069
3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
CID 43600174
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
CID 61408498
N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide
CID 119447035
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
2-methyl-4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 80540814

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-ethenyl-3-(2-piperazin-1-ylethyl)urea (CID 108909147) is 1-ethenyl-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-ethenyl-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-ethenyl-3-(2-piperazin-1-ylethyl)urea is C=CNC(=O)NCCN1CCNCC1.
What is the InChIKey of 1-ethenyl-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is CFXQCMDJNHVLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-2-11-9(14)12-5-8-13-6-3-10-4-7-13/h2,10H,1,3-8H2,(H2,11,12,14).
What are the key properties of 1-ethenyl-3-(2-piperazin-1-ylethyl)urea?
1-ethenyl-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 198.27 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108909147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).