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

C13H24N4O — CID 108915421

IUPAC1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
SMILESC/C(=C\NC(=O)NCCN1CCNCC1)C1CC1
InChIInChI=1S/C13H24N4O/c1-11(12-2-3-12)10-16-13(18)15-6-9-17-7-4-14-5-8-17/h10,12,14H,2-9H2,1H3,(H2,15,16,18)/b11-10+
InChIKeyDKRPZFZLQLJZTF-ZHACJKMWSA-N
MW252.36 g/mol
LogP0.50
Rot. Bonds5

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

1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108915421) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
PubChem CID108915421
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
SMILESC/C(=C\NC(=O)NCCN1CCNCC1)C1CC1
InChIInChI=1S/C13H24N4O/c1-11(12-2-3-12)10-16-13(18)15-6-9-17-7-4-14-5-8-17/h10,12,14H,2-9H2,1H3,(H2,15,16,18)/b11-10+
InChIKeyDKRPZFZLQLJZTF-ZHACJKMWSA-N
XLogP0.50
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108910627
3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
CID 43600174
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
CID 170730069
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
1-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)urea
CID 108865910
1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913903
3-cyclopentyl-2-methyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119446426

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea (CID 108915421) is 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea is C/C(=C\NC(=O)NCCN1CCNCC1)C1CC1.
What is the InChIKey of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is DKRPZFZLQLJZTF-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(12-2-3-12)10-16-13(18)15-6-9-17-7-4-14-5-8-17/h10,12,14H,2-9H2,1H3,(H2,15,16,18)/b11-10+.
What are the key properties of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea?
1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 252.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108915421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).