1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea

C17H27N3O2 — CID 6468357

IUPAC1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccccc2OCC)CC1
InChIInChI=1S/C17H27N3O2/c1-3-11-20-12-9-14(10-13-20)18-17(21)19-15-7-5-6-8-16(15)22-4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H2,18,19,21)
InChIKeyHSTJXXMYJTUSGP-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.08
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea

1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea (PubChem CID 6468357) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
PubChem CID6468357
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccccc2OCC)CC1
InChIInChI=1S/C17H27N3O2/c1-3-11-20-12-9-14(10-13-20)18-17(21)19-15-7-5-6-8-16(15)22-4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H2,18,19,21)
InChIKeyHSTJXXMYJTUSGP-UHFFFAOYSA-N
XLogP3.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
3-(2-ethoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 78809618
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-ethoxyphenyl)urea
CID 23609690
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea
CID 14763328
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide
CID 17173537
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea (CID 6468357) is 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)Nc2ccccc2OCC)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is HSTJXXMYJTUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-11-20-12-9-14(10-13-20)18-17(21)19-15-7-5-6-8-16(15)22-4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 305.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 6468357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).