ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate

C11H20N2O3 — CID 43086020

IUPACethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC)CC1
InChIInChI=1S/C11H20N2O3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8-12-2/h9,12H,3-8H2,1-2H3
InChIKeyBZJHPMPGJMFICO-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds4

About ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate (PubChem CID 43086020) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
PubChem CID43086020
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC)CC1
InChIInChI=1S/C11H20N2O3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8-12-2/h9,12H,3-8H2,1-2H3
InChIKeyBZJHPMPGJMFICO-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate (CID 43086020) is ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNC)CC1.
What is the InChIKey of ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate?
The InChIKey is BZJHPMPGJMFICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8-12-2/h9,12H,3-8H2,1-2H3.
What are the key properties of ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43086020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).