ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate

C16H32N2O3 — CID 102966305

IUPACethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(CN1CCC(C)C(OC)C1)C(=O)OCC
InChIInChI=1S/C16H32N2O3/c1-6-9-17-16(4,15(19)21-7-2)12-18-10-8-13(3)14(11-18)20-5/h13-14,17H,6-12H2,1-5H3
InChIKeyYWTHFOPXBNUUSW-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.66
Rot. Bonds8

About ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate

ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate (PubChem CID 102966305) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
PubChem CID102966305
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(CN1CCC(C)C(OC)C1)C(=O)OCC
InChIInChI=1S/C16H32N2O3/c1-6-9-17-16(4,15(19)21-7-2)12-18-10-8-13(3)14(11-18)20-5/h13-14,17H,6-12H2,1-5H3
InChIKeyYWTHFOPXBNUUSW-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
methyl 2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propylamino)propanoate
CID 79163895
ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966348
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methylbutanoic acid
CID 102967441
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)propanamide
CID 64581749
ethyl 3-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)propanoate
CID 104691578
ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 62122726
ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
ethyl 2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 63972573
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 103538112
1-(3-methoxy-4-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 102960525

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate?
The IUPAC name of ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate (CID 102966305) is ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate?
The canonical SMILES for ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate is CCCNC(C)(CN1CCC(C)C(OC)C1)C(=O)OCC.
What is the InChIKey of ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate?
The InChIKey is YWTHFOPXBNUUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-9-17-16(4,15(19)21-7-2)12-18-10-8-13(3)14(11-18)20-5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate?
ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate has a molecular weight of 300.44 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate is sourced from PubChem (CID 102966305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).