1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea

C22H30N4O2 — CID 139783466

IUPAC1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea
SMILESCNC(=O)Nc1c(C)cccc1OCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O2/c1-18-8-6-11-20(21(18)24-22(27)23-2)28-17-7-12-25-13-15-26(16-14-25)19-9-4-3-5-10-19/h3-6,8-11H,7,12-17H2,1-2H3,(H2,23,24,27)
InChIKeyCWMJMIRMPFAJFY-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.34
Rot. Bonds7

About 1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea

1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea (PubChem CID 139783466) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea
PubChem CID139783466
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea
SMILESCNC(=O)Nc1c(C)cccc1OCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O2/c1-18-8-6-11-20(21(18)24-22(27)23-2)28-17-7-12-25-13-15-26(16-14-25)19-9-4-3-5-10-19/h3-6,8-11H,7,12-17H2,1-2H3,(H2,23,24,27)
InChIKeyCWMJMIRMPFAJFY-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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Related Compounds

3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
CID 58904598
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664
3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
CID 55624420
8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 14014460
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide
CID 24773437
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
CID 58904617
N-cyclopropyl-2-[4-[3-(2-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 51095932

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea?
The IUPAC name of 1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea (CID 139783466) is 1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea.
What is the SMILES notation for 1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea?
The canonical SMILES for 1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea is CNC(=O)Nc1c(C)cccc1OCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea?
The InChIKey is CWMJMIRMPFAJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-18-8-6-11-20(21(18)24-22(27)23-2)28-17-7-12-25-13-15-26(16-14-25)19-9-4-3-5-10-19/h3-6,8-11H,7,12-17H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea?
1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]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-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea is sourced from PubChem (CID 139783466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).