ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate

C15H30N2O3 — CID 102966600

IUPACethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N1CCCC(OC)C1)NC
InChIInChI=1S/C15H30N2O3/c1-6-20-14(18)15(3,16-4)10-12(2)17-9-7-8-13(11-17)19-5/h12-13,16H,6-11H2,1-5H3
InChIKeyANYKXYXUJZQYLN-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds7

About ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate

ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate (PubChem CID 102966600) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
PubChem CID102966600
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N1CCCC(OC)C1)NC
InChIInChI=1S/C15H30N2O3/c1-6-20-14(18)15(3,16-4)10-12(2)17-9-7-8-13(11-17)19-5/h12-13,16H,6-11H2,1-5H3
InChIKeyANYKXYXUJZQYLN-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
CID 102966545
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate
CID 64727585
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
CID 64721136
methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate
CID 103538071
ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
CID 64710612
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
ethyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 83221834
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709380
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
CID 64704813

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate (CID 102966600) is ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CC(C)N1CCCC(OC)C1)NC.
What is the InChIKey of ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is ANYKXYXUJZQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-20-14(18)15(3,16-4)10-12(2)17-9-7-8-13(11-17)19-5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 102966600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).