1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea

C16H25N3O — CID 6466423

IUPAC1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCCc1ccc(NC(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-2-14-6-8-15(9-7-14)18-16(20)17-10-13-19-11-4-3-5-12-19/h6-9H,2-5,10-13H2,1H3,(H2,17,18,20)
InChIKeyWKGRONJWABVYKN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.86
Rot. Bonds5

About 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea

1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6466423) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6466423
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCCc1ccc(NC(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-2-14-6-8-15(9-7-14)18-16(20)17-10-13-19-11-4-3-5-12-19/h6-9H,2-5,10-13H2,1H3,(H2,17,18,20)
InChIKeyWKGRONJWABVYKN-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6466423) is 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea is CCc1ccc(NC(=O)NCCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is WKGRONJWABVYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-14-6-8-15(9-7-14)18-16(20)17-10-13-19-11-4-3-5-12-19/h6-9H,2-5,10-13H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 275.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6466423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).