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

C14H26N2O3 — CID 47010749

IUPACethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-19-13(18)11-6-8-16(9-7-11)12(17)10-15-14(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyNJVUEYDDQGBNRM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds4

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

ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate (PubChem CID 47010749) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
PubChem CID47010749
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-19-13(18)11-6-8-16(9-7-11)12(17)10-15-14(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyNJVUEYDDQGBNRM-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-[4-methyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate
CID 55477689
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate
CID 54812742
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-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
CID 108865828

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate (CID 47010749) is ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNC(C)(C)C)CC1.
What is the InChIKey of ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate?
The InChIKey is NJVUEYDDQGBNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-19-13(18)11-6-8-16(9-7-11)12(17)10-15-14(2,3)4/h11,15H,5-10H2,1-4H3.
What are the key properties of ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 47010749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).