1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea

C17H27ClN4O2 — CID 44527624

IUPAC1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea
SMILESCCCN1CCN(CC(O)CNC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN4O2/c1-2-7-21-8-10-22(11-9-21)13-16(23)12-19-17(24)20-15-5-3-14(18)4-6-15/h3-6,16,23H,2,7-13H2,1H3,(H2,19,20,24)
InChIKeyLRXRNOZMFSGPEG-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.85
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea

1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea (PubChem CID 44527624) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea
PubChem CID44527624
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea
SMILESCCCN1CCN(CC(O)CNC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN4O2/c1-2-7-21-8-10-22(11-9-21)13-16(23)12-19-17(24)20-15-5-3-14(18)4-6-15/h3-6,16,23H,2,7-13H2,1H3,(H2,19,20,24)
InChIKeyLRXRNOZMFSGPEG-UHFFFAOYSA-N
XLogP1.85
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea;2,2,2-trifluoroacetic acid
CID 44527623
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508
1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525
1-(4-chlorophenyl)-3-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 18578202
1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
CID 51944280
N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide
CID 60503579
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 112507265
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea
CID 125167669
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237292
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea (CID 44527624) is 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea is CCCN1CCN(CC(O)CNC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea?
The InChIKey is LRXRNOZMFSGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-2-7-21-8-10-22(11-9-21)13-16(23)12-19-17(24)20-15-5-3-14(18)4-6-15/h3-6,16,23H,2,7-13H2,1H3,(H2,19,20,24).
What are the key properties of 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea?
1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea has a molecular weight of 354.88 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea is sourced from PubChem (CID 44527624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).