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

C16H26N4O2 — CID 108900946

IUPAC1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
SMILESCOc1cccc(CCNC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H26N4O2/c1-22-15-4-2-3-14(13-15)5-6-18-16(21)19-9-12-20-10-7-17-8-11-20/h2-4,13,17H,5-12H2,1H3,(H2,18,19,21)
InChIKeyTZBIQRQAMDASLA-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.44
Rot. Bonds7

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

1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108900946) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
PubChem CID108900946
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
SMILESCOc1cccc(CCNC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H26N4O2/c1-22-15-4-2-3-14(13-15)5-6-18-16(21)19-9-12-20-10-7-17-8-11-20/h2-4,13,17H,5-12H2,1H3,(H2,18,19,21)
InChIKeyTZBIQRQAMDASLA-UHFFFAOYSA-N
XLogP0.44
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108901401
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133842
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108902319
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea (CID 108900946) is 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea is COc1cccc(CCNC(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is TZBIQRQAMDASLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-15-4-2-3-14(13-15)5-6-18-16(21)19-9-12-20-10-7-17-8-11-20/h2-4,13,17H,5-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 306.41 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108900946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).