ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate

C18H32N2O4 — CID 87031091

IUPACethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H32N2O4/c1-6-10-20(13-15(21)24-7-2)16(22)14-8-11-19(12-9-14)17(23)18(3,4)5/h14H,6-13H2,1-5H3
InChIKeyIIOKUMKMAQHKTE-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.07
Rot. Bonds6

About ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate

ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate (PubChem CID 87031091) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate
PubChem CID87031091
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nameethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H32N2O4/c1-6-10-20(13-15(21)24-7-2)16(22)14-8-11-19(12-9-14)17(23)18(3,4)5/h14H,6-13H2,1-5H3
InChIKeyIIOKUMKMAQHKTE-UHFFFAOYSA-N
XLogP2.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate (CID 87031091) is ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate?
The InChIKey is IIOKUMKMAQHKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-6-10-20(13-15(21)24-7-2)16(22)14-8-11-19(12-9-14)17(23)18(3,4)5/h14H,6-13H2,1-5H3.
What are the key properties of ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate?
ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate has a molecular weight of 340.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate is sourced from PubChem (CID 87031091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).