ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate

C11H20N2O3 — CID 17174447

IUPACethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H20N2O3/c1-3-16-10(14)8-12-11(15)13-6-4-9(2)5-7-13/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyBXGACHDUMUOKBU-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.99
Rot. Bonds3

About ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate

ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate (PubChem CID 17174447) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate
PubChem CID17174447
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H20N2O3/c1-3-16-10(14)8-12-11(15)13-6-4-9(2)5-7-13/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyBXGACHDUMUOKBU-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 944219
(S)-3-Methyl-2-[(piperidine-1-carbonyl)-amino]-pentanoic acid methyl ester
CID 16682292
(2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
CID 16405217
Ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate
CID 3874451
N-(4-methylpentyl)morpholine-4-carboxamide
CID 52577078
1-(2-Methoxyethyl)-3-((1-(2-methoxyethyl)piperidin-4-yl)methyl)urea
CID 45504439
Methyl 4-((3-(2-methoxyethyl)ureido)methyl)piperidine-1-carboxylate
CID 49688891
Ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate
CID 60650203
Ethyl 2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate
CID 65530473
Ethyl 2-({[4-(piperidinomethyl)piperidino]carbonyl}amino)acetate
CID 20907463
Ethyl 2-({4-[(pyrrolidin-1-YL)methyl]piperidine-1-carbonyl}amino)acetate
CID 20907546
Ethyl 2-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
CID 20907601

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate (CID 17174447) is ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCC(C)CC1.
What is the InChIKey of ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate?
The InChIKey is BXGACHDUMUOKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-16-10(14)8-12-11(15)13-6-4-9(2)5-7-13/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate?
ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate has a molecular weight of 228.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylpiperidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 17174447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).