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

C16H25ClN4O — CID 22430387

IUPAC1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea
SMILESCCCN1CCN(CCNC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C16H25ClN4O/c1-2-8-20-10-12-21(13-11-20)9-7-18-16(22)19-15-6-4-3-5-14(15)17/h3-6H,2,7-13H2,1H3,(H2,18,19,22)
InChIKeyOQFHDSLCTHDMGO-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.49
Rot. Bonds6

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

1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea (PubChem CID 22430387) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea
PubChem CID22430387
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea
SMILESCCCN1CCN(CCNC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C16H25ClN4O/c1-2-8-20-10-12-21(13-11-20)9-7-18-16(22)19-15-6-4-3-5-14(15)17/h3-6H,2,7-13H2,1H3,(H2,18,19,22)
InChIKeyOQFHDSLCTHDMGO-UHFFFAOYSA-N
XLogP2.49
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea (CID 22430387) is 1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea is CCCN1CCN(CCNC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea?
The InChIKey is OQFHDSLCTHDMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O/c1-2-8-20-10-12-21(13-11-20)9-7-18-16(22)19-15-6-4-3-5-14(15)17/h3-6H,2,7-13H2,1H3,(H2,18,19,22).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea?
1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea has a molecular weight of 324.86 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 22430387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).