1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

C17H26ClN3O2 — CID 71860622

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCOC1CCN(CCNC(=O)NC(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O2/c1-13(14-4-3-5-15(18)12-14)20-17(22)19-8-11-21-9-6-16(23-2)7-10-21/h3-5,12-13,16H,6-11H2,1-2H3,(H2,19,20,22)
InChIKeyXAEFCJHGSUNTHK-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.81
Rot. Bonds6

About 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (PubChem CID 71860622) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
PubChem CID71860622
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCOC1CCN(CCNC(=O)NC(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O2/c1-13(14-4-3-5-15(18)12-14)20-17(22)19-8-11-21-9-6-16(23-2)7-10-21/h3-5,12-13,16H,6-11H2,1-2H3,(H2,19,20,22)
InChIKeyXAEFCJHGSUNTHK-UHFFFAOYSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (CID 71860622) is 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is COC1CCN(CCNC(=O)NC(C)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The InChIKey is XAEFCJHGSUNTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-13(14-4-3-5-15(18)12-14)20-17(22)19-8-11-21-9-6-16(23-2)7-10-21/h3-5,12-13,16H,6-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea has a molecular weight of 339.87 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 71860622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).