ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate

C13H21N3O4 — CID 47104651

IUPACethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)N2CCNC2=O)C1
InChIInChI=1S/C13H21N3O4/c1-2-20-12(18)10-4-3-6-15(8-10)9-11(17)16-7-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)
InChIKeyRVTBJTRFMNGHIP-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.19
Rot. Bonds4

About ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate

ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate (PubChem CID 47104651) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
PubChem CID47104651
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nameethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)N2CCNC2=O)C1
InChIInChI=1S/C13H21N3O4/c1-2-20-12(18)10-4-3-6-15(8-10)9-11(17)16-7-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)
InChIKeyRVTBJTRFMNGHIP-UHFFFAOYSA-N
XLogP-0.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl (3R)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-3-carboxylate
CID 40032010
Ethyl 1-(2-(methylamino)acetyl)piperidine-3-carboxylate
CID 47003233
ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate
CID 31696793
ethyl (3S)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
CID 40032015
ethyl (3R)-1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-1-ium-3-carboxylate
CID 8561420
ethyl (3R)-1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidine-3-carboxylate
CID 8561421
Ethyl 1-(ethylcarbamoyl)piperidine-3-carboxylate
CID 43404896
(R)-Ethyl 1-ethylcarbamoylpiperidine-3-carboxylate
CID 53841393
8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate
CID 67283408
ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate
CID 138480045
1-Methyl-3-[2-(piperidin-3-ylmethoxy)ethyl]imidazolidine-2,4-dione
CID 140121521
Ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate
CID 144562768

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate (CID 47104651) is ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)N2CCNC2=O)C1.
What is the InChIKey of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate?
The InChIKey is RVTBJTRFMNGHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-20-12(18)10-4-3-6-15(8-10)9-11(17)16-7-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19).
What are the key properties of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate?
ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate has a molecular weight of 283.33 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 47104651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).