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

C11H22N4O — CID 108910627

IUPAC1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
SMILESCC/C=C/NC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H22N4O/c1-2-3-4-13-11(16)14-7-10-15-8-5-12-6-9-15/h3-4,12H,2,5-10H2,1H3,(H2,13,14,16)/b4-3+
InChIKeyHWISAPNOOHJHOM-ONEGZZNKSA-N
MW226.32 g/mol
LogP0.11
Rot. Bonds5

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

1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108910627) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
PubChem CID108910627
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
SMILESCC/C=C/NC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H22N4O/c1-2-3-4-13-11(16)14-7-10-15-8-5-12-6-9-15/h3-4,12H,2,5-10H2,1H3,(H2,13,14,16)/b4-3+
InChIKeyHWISAPNOOHJHOM-ONEGZZNKSA-N
XLogP0.11
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethenyl-3-(2-piperazin-1-ylethyl)urea
CID 108909147
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-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea
CID 108907667
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
CID 43600174
ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
CID 170730069
1-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)urea
CID 108865910
3-methyl-2-(2-piperazin-1-ylethylcarbamoylamino)pentanoic acid
CID 61408451
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 61408408
2-methyl-4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 80540814

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea (CID 108910627) is 1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea is CC/C=C/NC(=O)NCCN1CCNCC1.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is HWISAPNOOHJHOM-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H22N4O/c1-2-3-4-13-11(16)14-7-10-15-8-5-12-6-9-15/h3-4,12H,2,5-10H2,1H3,(H2,13,14,16)/b4-3+.
What are the key properties of 1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea?
1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 226.32 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)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108910627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).