1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea

C18H29N3O2 — CID 2959777

IUPAC1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCN2C(C)CCCC2C)cc1
InChIInChI=1S/C18H29N3O2/c1-4-23-17-10-8-16(9-11-17)20-18(22)19-12-13-21-14(2)6-5-7-15(21)3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyCEONUKADDXRNBN-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea

1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea (PubChem CID 2959777) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea
PubChem CID2959777
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCN2C(C)CCCC2C)cc1
InChIInChI=1S/C18H29N3O2/c1-4-23-17-10-8-16(9-11-17)20-18(22)19-12-13-21-14(2)6-5-7-15(21)3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyCEONUKADDXRNBN-UHFFFAOYSA-N
XLogP3.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea (CID 2959777) is 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCCN2C(C)CCCC2C)cc1.
What is the InChIKey of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is CEONUKADDXRNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-23-17-10-8-16(9-11-17)20-18(22)19-12-13-21-14(2)6-5-7-15(21)3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea?
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 319.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 2959777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).