1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea

C13H17ClN4O2 — CID 61176836

IUPAC1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCNCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN4O2/c14-10-2-1-3-11(8-10)17-13(20)16-9-12(19)18-6-4-15-5-7-18/h1-3,8,15H,4-7,9H2,(H2,16,17,20)
InChIKeyORHPYIZFVJEPFX-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.89
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea

1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea (PubChem CID 61176836) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
PubChem CID61176836
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCNCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN4O2/c14-10-2-1-3-11(8-10)17-13(20)16-9-12(19)18-6-4-15-5-7-18/h1-3,8,15H,4-7,9H2,(H2,16,17,20)
InChIKeyORHPYIZFVJEPFX-UHFFFAOYSA-N
XLogP0.89
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 107654016
2-(3-chloroanilino)-1-(1,4-diazepan-1-yl)ethanone
CID 142710170
1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61177229
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47145291
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
CID 4789489

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea (CID 61176836) is 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea is O=C(NCC(=O)N1CCNCC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
The InChIKey is ORHPYIZFVJEPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-10-2-1-3-11(8-10)17-13(20)16-9-12(19)18-6-4-15-5-7-18/h1-3,8,15H,4-7,9H2,(H2,16,17,20).
What are the key properties of 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea has a molecular weight of 296.76 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 61176836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).