[4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea

C20H25ClN4O3 — CID 25113672

IUPAC[4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
SMILESNC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H25ClN4O3/c21-15-1-5-17(6-2-15)25-11-9-24(10-12-25)13-18(26)14-28-19-7-3-16(4-8-19)23-20(22)27/h1-8,18,26H,9-14H2,(H3,22,23,27)/t18-/m0/s1
InChIKeyGSOWCEUNQPJIFR-SFHVURJKSA-N
MW404.90 g/mol
LogP2.39
Rot. Bonds7

About [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea

[4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea (PubChem CID 25113672) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea.

Molecular Properties

Compound Name[4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
PubChem CID25113672
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name[4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
SMILESNC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H25ClN4O3/c21-15-1-5-17(6-2-15)25-11-9-24(10-12-25)13-18(26)14-28-19-7-3-16(4-8-19)23-20(22)27/h1-8,18,26H,9-14H2,(H3,22,23,27)/t18-/m0/s1
InChIKeyGSOWCEUNQPJIFR-SFHVURJKSA-N
XLogP2.39
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625710
1-(3,5-Dichlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625711
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 4286043
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-N'-(4-methoxyphenyl)urea
CID 5308271
1-(4-Chlorophenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014696
1-(4-Chlorophenyl)-3-(4-(3-morpholinopropoxy)phenyl)urea
CID 25014775
1-(4-Chlorophenyl)-3-(4-fluoro-3-(3-morpholinopropoxy)phenyl)urea
CID 25014859
1-(3-Chlorophenyl)-3-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]urea
CID 66653268
1-Piperazineethanol, alpha-(p-chlorophenoxymethyl)-4-(p-methoxyphenyl)-
CID 280009
N-(4-(3-(4-(4-Chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)acetamide
CID 2962065
N-(4-(2-Hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)acetamide
CID 39477

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea?
The IUPAC name of [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea (CID 25113672) is [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea.
What is the SMILES notation for [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea?
The canonical SMILES for [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea is NC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea?
The InChIKey is GSOWCEUNQPJIFR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c21-15-1-5-17(6-2-15)25-11-9-24(10-12-25)13-18(26)14-28-19-7-3-16(4-8-19)23-20(22)27/h1-8,18,26H,9-14H2,(H3,22,23,27)/t18-/m0/s1.
What are the key properties of [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea?
[4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea has a molecular weight of 404.90 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea is sourced from PubChem (CID 25113672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).