1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea

C23H31N3O2 — CID 110353410

IUPAC1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
SMILESCCOc1ccc(C(CNC(=O)NCc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O2/c1-2-28-21-13-11-20(12-14-21)22(26-15-7-4-8-16-26)18-25-23(27)24-17-19-9-5-3-6-10-19/h3,5-6,9-14,22H,2,4,7-8,15-18H2,1H3,(H2,24,25,27)
InChIKeyUDEHYORTCNZMEM-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.11
Rot. Bonds8

About 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea

1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea (PubChem CID 110353410) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
PubChem CID110353410
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
SMILESCCOc1ccc(C(CNC(=O)NCc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O2/c1-2-28-21-13-11-20(12-14-21)22(26-15-7-4-8-16-26)18-25-23(27)24-17-19-9-5-3-6-10-19/h3,5-6,9-14,22H,2,4,7-8,15-18H2,1H3,(H2,24,25,27)
InChIKeyUDEHYORTCNZMEM-UHFFFAOYSA-N
XLogP4.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112503867
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
CID 112503903
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 60607590
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506627
3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 110353409
1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea
CID 110621713
N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272210

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea (CID 110353410) is 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea is CCOc1ccc(C(CNC(=O)NCc2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea?
The InChIKey is UDEHYORTCNZMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-2-28-21-13-11-20(12-14-21)22(26-15-7-4-8-16-26)18-25-23(27)24-17-19-9-5-3-6-10-19/h3,5-6,9-14,22H,2,4,7-8,15-18H2,1H3,(H2,24,25,27).
What are the key properties of 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea?
1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea has a molecular weight of 381.52 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea is sourced from PubChem (CID 110353410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).