methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate

C18H26N2O4 — CID 8754699

IUPACmethyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C18H26N2O4/c1-23-16-6-4-3-5-14(16)7-10-19-17(21)13-20-11-8-15(9-12-20)18(22)24-2/h3-6,15H,7-13H2,1-2H3,(H,19,21)
InChIKeyIEKQXHMCQJQIMZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.24
Rot. Bonds7

About methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8754699) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8754699
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C18H26N2O4/c1-23-16-6-4-3-5-14(16)7-10-19-17(21)13-20-11-8-15(9-12-20)18(22)24-2/h3-6,15H,7-13H2,1-2H3,(H,19,21)
InChIKeyIEKQXHMCQJQIMZ-UHFFFAOYSA-N
XLogP1.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30672521
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120774994
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055335
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 60503424
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
methyl 1-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8754615
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-[2-(2-methoxyphenyl)ethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146911

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate (CID 8754699) is methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)NCCc2ccccc2OC)CC1.
What is the InChIKey of methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is IEKQXHMCQJQIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-16-6-4-3-5-14(16)7-10-19-17(21)13-20-11-8-15(9-12-20)18(22)24-2/h3-6,15H,7-13H2,1-2H3,(H,19,21).
What are the key properties of methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8754699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).