ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate

C14H26N2O3 — CID 79810016

IUPACethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(N)(CC)CC)C1
InChIInChI=1S/C14H26N2O3/c1-4-14(15,5-2)13(18)16-9-7-8-11(10-16)12(17)19-6-3/h11H,4-10,15H2,1-3H3
InChIKeyXWMKBPRVXXBSSZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.31
Rot. Bonds5

About ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate

ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate (PubChem CID 79810016) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
PubChem CID79810016
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(N)(CC)CC)C1
InChIInChI=1S/C14H26N2O3/c1-4-14(15,5-2)13(18)16-9-7-8-11(10-16)12(17)19-6-3/h11H,4-10,15H2,1-3H3
InChIKeyXWMKBPRVXXBSSZ-UHFFFAOYSA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
CID 110698415
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl (3S)-1-[(E)-but-2-enoyl]piperidine-3-carboxylate
CID 81344952

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate (CID 79810016) is ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C(N)(CC)CC)C1.
What is the InChIKey of ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate?
The InChIKey is XWMKBPRVXXBSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(15,5-2)13(18)16-9-7-8-11(10-16)12(17)19-6-3/h11H,4-10,15H2,1-3H3.
What are the key properties of ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate?
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 79810016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).