1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea

C13H16Cl2N4O2 — CID 107654016

IUPAC1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCNCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N4O2/c14-9-5-10(15)7-11(6-9)18-13(21)17-8-12(20)19-3-1-16-2-4-19/h5-7,16H,1-4,8H2,(H2,17,18,21)
InChIKeyJGCYQMNQLBPSKR-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.55
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea

1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea (PubChem CID 107654016) has the molecular formula C13H16Cl2N4O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
PubChem CID107654016
Molecular FormulaC13H16Cl2N4O2
Molecular Weight331.20 g/mol
Exact Mass330.07
IUPAC Name1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCNCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N4O2/c14-9-5-10(15)7-11(6-9)18-13(21)17-8-12(20)19-3-1-16-2-4-19/h5-7,16H,1-4,8H2,(H2,17,18,21)
InChIKeyJGCYQMNQLBPSKR-UHFFFAOYSA-N
XLogP1.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61176836
1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61177229
N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 120981014
1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120981013
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
1-[(4-chlorophenyl)methyl]-3-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]urea;methanol
CID 156825295
2-(3-chloroanilino)-1-(1,4-diazepan-1-yl)ethanone
CID 142710170
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
4-chloro-1-cyclopropyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 61175104
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea (CID 107654016) is 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea is O=C(NCC(=O)N1CCNCC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
The InChIKey is JGCYQMNQLBPSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O2/c14-9-5-10(15)7-11(6-9)18-13(21)17-8-12(20)19-3-1-16-2-4-19/h5-7,16H,1-4,8H2,(H2,17,18,21).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea has a molecular weight of 331.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 107654016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).