1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea

C16H24N4O2 — CID 108907667

IUPAC1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea
SMILESCOc1ccc(/C=C/NC(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C16H24N4O2/c1-22-15-4-2-14(3-5-15)6-7-18-16(21)19-10-13-20-11-8-17-9-12-20/h2-7,17H,8-13H2,1H3,(H2,18,19,21)/b7-6+
InChIKeyCOYCFOTXTXTTFU-VOTSOKGWSA-N
MW304.39 g/mol
LogP0.87
Rot. Bonds6

About 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108907667) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea
PubChem CID108907667
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea
SMILESCOc1ccc(/C=C/NC(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C16H24N4O2/c1-22-15-4-2-14(3-5-15)6-7-18-16(21)19-10-13-20-11-8-17-9-12-20/h2-7,17H,8-13H2,1H3,(H2,18,19,21)/b7-6+
InChIKeyCOYCFOTXTXTTFU-VOTSOKGWSA-N
XLogP0.87
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108907537
(Z)-3-(4-methoxyphenyl)-N-[2-[4-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 92903724
3-(4-methoxyphenyl)-N-[2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 1008919
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108910627
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884
(Z)-2-cyano-3-(4-methoxyanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863685
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
1-[(4-methylphenoxy)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108892918
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea (CID 108907667) is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea is COc1ccc(/C=C/NC(=O)NCCN2CCNCC2)cc1.
What is the InChIKey of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is COYCFOTXTXTTFU-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-22-15-4-2-14(3-5-15)6-7-18-16(21)19-10-13-20-11-8-17-9-12-20/h2-7,17H,8-13H2,1H3,(H2,18,19,21)/b7-6+.
What are the key properties of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea?
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 304.39 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108907667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).