1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea

C22H30N4O2 — CID 3243909

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea
SMILESCOc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C22H30N4O2/c1-18-8-3-4-9-19(18)24-22(27)23-12-7-13-25-14-16-26(17-15-25)20-10-5-6-11-21(20)28-2/h3-6,8-11H,7,12-17H2,1-2H3,(H2,23,24,27)
InChIKeyWNNUKGVPJHKUEM-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.34
Rot. Bonds7

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea (PubChem CID 3243909) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea
PubChem CID3243909
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea
SMILESCOc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C22H30N4O2/c1-18-8-3-4-9-19(18)24-22(27)23-12-7-13-25-14-16-26(17-15-25)20-10-5-6-11-21(20)28-2/h3-6,8-11H,7,12-17H2,1-2H3,(H2,23,24,27)
InChIKeyWNNUKGVPJHKUEM-UHFFFAOYSA-N
XLogP3.34
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea (CID 3243909) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea is COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea?
The InChIKey is WNNUKGVPJHKUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-18-8-3-4-9-19(18)24-22(27)23-12-7-13-25-14-16-26(17-15-25)20-10-5-6-11-21(20)28-2/h3-6,8-11H,7,12-17H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea has a molecular weight of 382.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 3243909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).