1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

C17H27N3O — CID 6469362

IUPAC1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-14-5-7-15(8-6-14)18-17(21)19-16-9-11-20(12-10-16)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H2,18,19,21)
InChIKeyMLZZUXQNJHPLIH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.24
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (PubChem CID 6469362) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
PubChem CID6469362
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-14-5-7-15(8-6-14)18-17(21)19-16-9-11-20(12-10-16)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H2,18,19,21)
InChIKeyMLZZUXQNJHPLIH-UHFFFAOYSA-N
XLogP3.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.24
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-(1-propan-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (CID 6469362) is 1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is CCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The InChIKey is MLZZUXQNJHPLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-14-5-7-15(8-6-14)18-17(21)19-16-9-11-20(12-10-16)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea has a molecular weight of 289.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 6469362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).