1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

C21H28N4O3 — CID 22430375

IUPAC1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H28N4O3/c1-27-18-8-9-20(28-2)19(16-18)23-21(26)22-10-11-24-12-14-25(15-13-24)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H2,22,23,26)
InChIKeyHPDYOUNVPSOKGW-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.65
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (PubChem CID 22430375) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
PubChem CID22430375
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H28N4O3/c1-27-18-8-9-20(28-2)19(16-18)23-21(26)22-10-11-24-12-14-25(15-13-24)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H2,22,23,26)
InChIKeyHPDYOUNVPSOKGW-UHFFFAOYSA-N
XLogP2.65
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (CID 22430375) is 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is COc1ccc(OC)c(NC(=O)NCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The InChIKey is HPDYOUNVPSOKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-18-8-9-20(28-2)19(16-18)23-21(26)22-10-11-24-12-14-25(15-13-24)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea has a molecular weight of 384.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 22430375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).