ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate

C13H23N3O3 — CID 62026129

IUPACethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-12(17)11-3-6-15(7-4-11)9-10-16-8-5-14-13(16)18/h11H,2-10H2,1H3,(H,14,18)
InChIKeyBTWWHVHSHWYHHS-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.29
Rot. Bonds5

About ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate

ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate (PubChem CID 62026129) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate
PubChem CID62026129
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-12(17)11-3-6-15(7-4-11)9-10-16-8-5-14-13(16)18/h11H,2-10H2,1H3,(H,14,18)
InChIKeyBTWWHVHSHWYHHS-UHFFFAOYSA-N
XLogP0.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 55260993
ethyl 1-[2-(4-iodopiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 144962699
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
CID 62026889
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
ethyl 1-[2-(ethylamino)ethyl]piperidine-4-carboxylate
CID 61386620
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate (CID 62026129) is ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCN2CCNC2=O)CC1.
What is the InChIKey of ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate?
The InChIKey is BTWWHVHSHWYHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-19-12(17)11-3-6-15(7-4-11)9-10-16-8-5-14-13(16)18/h11H,2-10H2,1H3,(H,14,18).
What are the key properties of ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 62026129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).