ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate

C13H23N3O3 — CID 167785062

IUPACethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC2CCCC(=O)N2)CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)16-8-6-15(7-9-16)10-11-4-3-5-12(17)14-11/h11H,2-10H2,1H3,(H,14,17)
InChIKeyULBOYJCIIHQXFL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.43
Rot. Bonds3

About ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate

ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate (PubChem CID 167785062) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate
PubChem CID167785062
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC2CCCC(=O)N2)CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)16-8-6-15(7-9-16)10-11-4-3-5-12(17)14-11/h11H,2-10H2,1H3,(H,14,17)
InChIKeyULBOYJCIIHQXFL-UHFFFAOYSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 58181055
CID 58181055
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-(5-oxo-1,4-thiazepane-3-carbonyl)piperazine-1-carboxylate
CID 71798003
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67158038
ethyl 4-[(3-methyl-2,6-dioxo-5,7,8,9-tetrahydro-4H-purin-8-yl)methyl]piperazine-1-carboxylate
CID 78252862
ethane;ethyl pyrrolidine-1-carboxylate;piperidin-4-one
CID 143592038
ethyl 4-[(1S,2E)-2-hydroxyiminocyclopentyl]piperazine-1-carboxylate
CID 98157881
ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate
CID 98108430
ethyl azacycloundecane-1-carboxylate
CID 67670496

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate (CID 167785062) is ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC2CCCC(=O)N2)CC1.
What is the InChIKey of ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate?
The InChIKey is ULBOYJCIIHQXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-19-13(18)16-8-6-15(7-9-16)10-11-4-3-5-12(17)14-11/h11H,2-10H2,1H3,(H,14,17).
What are the key properties of ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate?
ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 167785062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).