ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate

C18H28N2O3 — CID 15061950

IUPACethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate
SMILESCCOC(=O)N(c1ccccc1OC)C1CC(C)N(C)CC1C
InChIInChI=1S/C18H28N2O3/c1-6-23-18(21)20(15-9-7-8-10-17(15)22-5)16-11-14(3)19(4)12-13(16)2/h7-10,13-14,16H,6,11-12H2,1-5H3
InChIKeyDLXIBDXPDSYXLU-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.39
Rot. Bonds4

About ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate

ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate (PubChem CID 15061950) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate
PubChem CID15061950
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nameethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate
SMILESCCOC(=O)N(c1ccccc1OC)C1CC(C)N(C)CC1C
InChIInChI=1S/C18H28N2O3/c1-6-23-18(21)20(15-9-7-8-10-17(15)22-5)16-11-14(3)19(4)12-13(16)2/h7-10,13-14,16H,6,11-12H2,1-5H3
InChIKeyDLXIBDXPDSYXLU-UHFFFAOYSA-N
XLogP3.39
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate?
The IUPAC name of ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate (CID 15061950) is ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate.
What is the SMILES notation for ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate?
The canonical SMILES for ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate is CCOC(=O)N(c1ccccc1OC)C1CC(C)N(C)CC1C.
What is the InChIKey of ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate?
The InChIKey is DLXIBDXPDSYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-23-18(21)20(15-9-7-8-10-17(15)22-5)16-11-14(3)19(4)12-13(16)2/h7-10,13-14,16H,6,11-12H2,1-5H3.
What are the key properties of ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate?
ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methoxyphenyl)-N-(1,2,5-trimethylpiperidin-4-yl)carbamate is sourced from PubChem (CID 15061950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).