[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea

C20H26N4O4 — CID 67249537

IUPAC[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea
SMILESNC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H26N4O4/c21-20(27)22-15-1-7-19(8-2-15)28-14-18(26)13-23-9-11-24(12-10-23)16-3-5-17(25)6-4-16/h1-8,18,25-26H,9-14H2,(H3,21,22,27)
InChIKeyFYVNOSFKOQSYPL-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.44
Rot. Bonds7

About [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea

[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea (PubChem CID 67249537) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea.

Molecular Properties

Compound Name[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea
PubChem CID67249537
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea
SMILESNC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H26N4O4/c21-20(27)22-15-1-7-19(8-2-15)28-14-18(26)13-23-9-11-24(12-10-23)16-3-5-17(25)6-4-16/h1-8,18,25-26H,9-14H2,(H3,21,22,27)
InChIKeyFYVNOSFKOQSYPL-UHFFFAOYSA-N
XLogP1.44
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]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

[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
CID 67250924
ethyl N-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 102504728
4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol
CID 70254082
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
CID 29404351
N-[4-[3-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 2962059
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
4-[(2R)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]benzohydrazide
CID 39899728
4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide
CID 86969635
[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate
CID 86577810
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea?
The IUPAC name of [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea (CID 67249537) is [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea.
What is the SMILES notation for [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea?
The canonical SMILES for [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea is NC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea?
The InChIKey is FYVNOSFKOQSYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c21-20(27)22-15-1-7-19(8-2-15)28-14-18(26)13-23-9-11-24(12-10-23)16-3-5-17(25)6-4-16/h1-8,18,25-26H,9-14H2,(H3,21,22,27).
What are the key properties of [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea?
[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea has a molecular weight of 386.45 g/mol, XLogP of 1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea is sourced from PubChem (CID 67249537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).