1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea

C12H22N4O — CID 108915794

IUPAC1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(N/C=C/C1CC1)NCCN1CCNCC1
InChIInChI=1S/C12H22N4O/c17-12(14-4-3-11-1-2-11)15-7-10-16-8-5-13-6-9-16/h3-4,11,13H,1-2,5-10H2,(H2,14,15,17)/b4-3+
InChIKeyWJAFNZWGQZBWAN-ONEGZZNKSA-N
MW238.33 g/mol
LogP0.11
Rot. Bonds5

About 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea

1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108915794) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea
PubChem CID108915794
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(N/C=C/C1CC1)NCCN1CCNCC1
InChIInChI=1S/C12H22N4O/c17-12(14-4-3-11-1-2-11)15-7-10-16-8-5-13-6-9-16/h3-4,11,13H,1-2,5-10H2,(H2,14,15,17)/b4-3+
InChIKeyWJAFNZWGQZBWAN-ONEGZZNKSA-N
XLogP0.11
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.11
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-ethenyl-3-(2-piperazin-1-ylethyl)urea
CID 108909147
1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108915421
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
1-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)urea
CID 108865910
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea
CID 108907667
4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 61408408
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 82511399
3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
CID 43600174
3-cyclopentyl-2-methyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119446426

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea (CID 108915794) is 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea is O=C(N/C=C/C1CC1)NCCN1CCNCC1.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is WJAFNZWGQZBWAN-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H22N4O/c17-12(14-4-3-11-1-2-11)15-7-10-16-8-5-13-6-9-16/h3-4,11,13H,1-2,5-10H2,(H2,14,15,17)/b4-3+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea?
1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 238.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108915794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).