ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate

C14H26N2O3 — CID 19778221

IUPACethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCC(N(C)C(=O)CC)CC1
InChIInChI=1S/C14H26N2O3/c1-5-13(17)15(4)12-7-9-16(10-8-12)11(3)14(18)19-6-2/h11-12H,5-10H2,1-4H3
InChIKeyFDQKOCLIFQMXFG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.27
Rot. Bonds5

About ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate

ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate (PubChem CID 19778221) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate
PubChem CID19778221
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCC(N(C)C(=O)CC)CC1
InChIInChI=1S/C14H26N2O3/c1-5-13(17)15(4)12-7-9-16(10-8-12)11(3)14(18)19-6-2/h11-12H,5-10H2,1-4H3
InChIKeyFDQKOCLIFQMXFG-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Piperidinecarboxylic acid, 1-acetyl-, ethyl ester
CID 558738
1-(Ethoxycarbonylmethyl)-2-piperidone
CID 10750014
Methyl alpha-methyl-1-piperidineacetate
CID 12957458
ethyl N-methyl-N-(1-propyl-4-piperidinyl)glycinate
CID 2846613
ethyl (2S)-1-acetylpiperidine-2-carboxylate
CID 101236662
Ethyl 2-piperidinobutanoate
CID 15525951
Butyl 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 89708490
Ethyl 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 140430476
methyl (2S)-2-[acetyloxymethyl(methoxycarbonyl)amino]-4-morpholin-4-ylbutanoate
CID 90352965
Ethyl (2-ethylpiperidin-1-yl)(oxo)acetate
CID 11514023
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate
CID 92983045
ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate
CID 162413924

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate?
The IUPAC name of ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate (CID 19778221) is ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate is CCOC(=O)C(C)N1CCC(N(C)C(=O)CC)CC1.
What is the InChIKey of ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate?
The InChIKey is FDQKOCLIFQMXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-13(17)15(4)12-7-9-16(10-8-12)11(3)14(18)19-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate?
ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate is sourced from PubChem (CID 19778221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).