3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea

C18H29N3O2 — CID 112503903

IUPAC3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
SMILESCCOc1ccc(C(CNC(=O)N(C)C)N2CCCCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-4-23-16-10-8-15(9-11-16)17(14-19-18(22)20(2)3)21-12-6-5-7-13-21/h8-11,17H,4-7,12-14H2,1-3H3,(H,19,22)
InChIKeyRGEPSNQLYDTNJI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.88
Rot. Bonds6

About 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea

3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea (PubChem CID 112503903) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
PubChem CID112503903
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
SMILESCCOc1ccc(C(CNC(=O)N(C)C)N2CCCCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-4-23-16-10-8-15(9-11-16)17(14-19-18(22)20(2)3)21-12-6-5-7-13-21/h8-11,17H,4-7,12-14H2,1-3H3,(H,19,22)
InChIKeyRGEPSNQLYDTNJI-UHFFFAOYSA-N
XLogP2.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112503867
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 7496411
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 110353409
1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 110353410
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-ethoxyphenyl)oxamide
CID 18583616
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506627
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea (CID 112503903) is 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea is CCOc1ccc(C(CNC(=O)N(C)C)N2CCCCC2)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea?
The InChIKey is RGEPSNQLYDTNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-23-16-10-8-15(9-11-16)17(14-19-18(22)20(2)3)21-12-6-5-7-13-21/h8-11,17H,4-7,12-14H2,1-3H3,(H,19,22).
What are the key properties of 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea?
3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea has a molecular weight of 319.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea is sourced from PubChem (CID 112503903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).