ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate

C13H22N2O5 — CID 167840317

IUPACethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC2OCCO2)CC1
InChIInChI=1S/C13H22N2O5/c1-2-18-13(17)15-5-3-10(4-6-15)14-11(16)9-12-19-7-8-20-12/h10,12H,2-9H2,1H3,(H,14,16)
InChIKeyZXMXTSPSDVMYJD-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.49
Rot. Bonds4

About ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 167840317) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID167840317
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Nameethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC2OCCO2)CC1
InChIInChI=1S/C13H22N2O5/c1-2-18-13(17)15-5-3-10(4-6-15)14-11(16)9-12-19-7-8-20-12/h10,12H,2-9H2,1H3,(H,14,16)
InChIKeyZXMXTSPSDVMYJD-UHFFFAOYSA-N
XLogP0.49
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate (CID 167840317) is ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CC2OCCO2)CC1.
What is the InChIKey of ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is ZXMXTSPSDVMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-18-13(17)15-5-3-10(4-6-15)14-11(16)9-12-19-7-8-20-12/h10,12H,2-9H2,1H3,(H,14,16).
What are the key properties of ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 167840317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).