[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea

C20H24Cl2N4O3 — CID 67250924

IUPAC[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
SMILESNC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24Cl2N4O3/c21-18-6-3-15(11-19(18)22)26-9-7-25(8-10-26)12-16(27)13-29-17-4-1-14(2-5-17)24-20(23)28/h1-6,11,16,27H,7-10,12-13H2,(H3,23,24,28)
InChIKeyXGEAVIAZYCTOFV-UHFFFAOYSA-N
MW439.34 g/mol
LogP3.05
Rot. Bonds7

About [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea

[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea (PubChem CID 67250924) has the molecular formula C20H24Cl2N4O3 and a molecular weight of 439.34 g/mol. Its IUPAC name is [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea.

Molecular Properties

Compound Name[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
PubChem CID67250924
Molecular FormulaC20H24Cl2N4O3
Molecular Weight439.34 g/mol
Exact Mass438.12
IUPAC Name[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
SMILESNC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24Cl2N4O3/c21-18-6-3-15(11-19(18)22)26-9-7-25(8-10-26)12-16(27)13-29-17-4-1-14(2-5-17)24-20(23)28/h1-6,11,16,27H,7-10,12-13H2,(H3,23,24,28)
InChIKeyXGEAVIAZYCTOFV-UHFFFAOYSA-N
XLogP3.05
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea with MolForge

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Related Compounds

1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 16645513
N-[4-[3-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 2962059
[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea
CID 67249537
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
ethyl N-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 102504728
N-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]acetamide
CID 18559038
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 55680044
ethyl 4-[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 7126214
ethyl 4-[3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 44891568
N-[4-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 67025968
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 16807134

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea?
The IUPAC name of [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea (CID 67250924) is [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea.
What is the SMILES notation for [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea?
The canonical SMILES for [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea is NC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea?
The InChIKey is XGEAVIAZYCTOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O3/c21-18-6-3-15(11-19(18)22)26-9-7-25(8-10-26)12-16(27)13-29-17-4-1-14(2-5-17)24-20(23)28/h1-6,11,16,27H,7-10,12-13H2,(H3,23,24,28).
What are the key properties of [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea?
[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea has a molecular weight of 439.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea is sourced from PubChem (CID 67250924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).