ethyl 3-[methyl(piperidin-3-yl)amino]propanoate

C11H22N2O2 — CID 84755502

IUPACethyl 3-[methyl(piperidin-3-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)C1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)6-8-13(2)10-5-4-7-12-9-10/h10,12H,3-9H2,1-2H3
InChIKeyLYQNDDIHMODMOL-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

About ethyl 3-[methyl(piperidin-3-yl)amino]propanoate

ethyl 3-[methyl(piperidin-3-yl)amino]propanoate (PubChem CID 84755502) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 3-[methyl(piperidin-3-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(piperidin-3-yl)amino]propanoate
PubChem CID84755502
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 3-[methyl(piperidin-3-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)C1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)6-8-13(2)10-5-4-7-12-9-10/h10,12H,3-9H2,1-2H3
InChIKeyLYQNDDIHMODMOL-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082
N-cyclopropyl-N-ethyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249128
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
CID 120850265
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
CID 63301426
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate
CID 140758794
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
CID 81141597
ethyl 6-piperidin-3-yloxyhexanoate
CID 106939322
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63727042
N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63642324

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(piperidin-3-yl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl(piperidin-3-yl)amino]propanoate (CID 84755502) is ethyl 3-[methyl(piperidin-3-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl(piperidin-3-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl(piperidin-3-yl)amino]propanoate is CCOC(=O)CCN(C)C1CCCNC1.
What is the InChIKey of ethyl 3-[methyl(piperidin-3-yl)amino]propanoate?
The InChIKey is LYQNDDIHMODMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)6-8-13(2)10-5-4-7-12-9-10/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[methyl(piperidin-3-yl)amino]propanoate?
ethyl 3-[methyl(piperidin-3-yl)amino]propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(piperidin-3-yl)amino]propanoate is sourced from PubChem (CID 84755502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).