ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate

C13H23N3O4 — CID 110706653

IUPACethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC2CCCO2)CC1
InChIInChI=1S/C13H23N3O4/c1-2-19-13(18)16-7-5-10(6-8-16)14-12(17)15-11-4-3-9-20-11/h10-11H,2-9H2,1H3,(H2,14,15,17)
InChIKeyYPNDQCYNIITDSP-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds3

About ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate

ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 110706653) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate
PubChem CID110706653
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nameethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC2CCCO2)CC1
InChIInChI=1S/C13H23N3O4/c1-2-19-13(18)16-7-5-10(6-8-16)14-12(17)15-11-4-3-9-20-11/h10-11H,2-9H2,1H3,(H2,14,15,17)
InChIKeyYPNDQCYNIITDSP-UHFFFAOYSA-N
XLogP1.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 167840317
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
1-cyclododecyl-3-(oxolan-2-yl)urea
CID 108887824
ethyl 4-[2-(oxan-2-yl)ethylamino]piperidine-1-carboxylate
CID 103993007
ethyl 4-[[N'-[2-(oxan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110018674
ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109133496
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-(2-chloropropanoylcarbamoylamino)piperidine-1-carboxylate
CID 43328963
ethyl 4-[[N'-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111036020
ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
CID 93255529

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate (CID 110706653) is ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NC2CCCO2)CC1.
What is the InChIKey of ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is YPNDQCYNIITDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-19-13(18)16-7-5-10(6-8-16)14-12(17)15-11-4-3-9-20-11/h10-11H,2-9H2,1H3,(H2,14,15,17).
What are the key properties of ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate?
ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110706653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).