ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate

C15H26N2O3 — CID 119043361

IUPACethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-20-14(18)11-12-5-9-17(10-6-12)15(19)13-3-7-16-8-4-13/h12-13,16H,2-11H2,1H3
InChIKeySLHLJUPXEUOISS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.18
Rot. Bonds4

About ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate

ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate (PubChem CID 119043361) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate
PubChem CID119043361
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-20-14(18)11-12-5-9-17(10-6-12)15(19)13-3-7-16-8-4-13/h12-13,16H,2-11H2,1H3
InChIKeySLHLJUPXEUOISS-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate (CID 119043361) is ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate is CCOC(=O)CC1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate?
The InChIKey is SLHLJUPXEUOISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-20-14(18)11-12-5-9-17(10-6-12)15(19)13-3-7-16-8-4-13/h12-13,16H,2-11H2,1H3.
What are the key properties of ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate?
ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate has a molecular weight of 282.38 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 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate is sourced from PubChem (CID 119043361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).