1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea

C15H23ClN4O — CID 108901401

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCc1cccc(Cl)c1)NCCN1CCNCC1
InChIInChI=1S/C15H23ClN4O/c16-14-3-1-2-13(12-14)4-5-18-15(21)19-8-11-20-9-6-17-7-10-20/h1-3,12,17H,4-11H2,(H2,18,19,21)
InChIKeyJJOFUVJPYQAQHQ-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.09
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea

1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108901401) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
PubChem CID108901401
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCc1cccc(Cl)c1)NCCN1CCNCC1
InChIInChI=1S/C15H23ClN4O/c16-14-3-1-2-13(12-14)4-5-18-15(21)19-8-11-20-9-6-17-7-10-20/h1-3,12,17H,4-11H2,(H2,18,19,21)
InChIKeyJJOFUVJPYQAQHQ-UHFFFAOYSA-N
XLogP1.09
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108902319
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
1-[2-(3-chlorophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108901546

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea (CID 108901401) is 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea is O=C(NCCc1cccc(Cl)c1)NCCN1CCNCC1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is JJOFUVJPYQAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c16-14-3-1-2-13(12-14)4-5-18-15(21)19-8-11-20-9-6-17-7-10-20/h1-3,12,17H,4-11H2,(H2,18,19,21).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 310.83 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108901401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).