ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate

C13H24N2O4 — CID 43787109

IUPACethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)(C)C(=O)OC)CC1
InChIInChI=1S/C13H24N2O4/c1-5-19-12(17)15-8-6-10(7-9-15)14-13(2,3)11(16)18-4/h10,14H,5-9H2,1-4H3
InChIKeyMZXNESSOEHBZKS-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.15
Rot. Bonds4

About ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate (PubChem CID 43787109) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate
PubChem CID43787109
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)(C)C(=O)OC)CC1
InChIInChI=1S/C13H24N2O4/c1-5-19-12(17)15-8-6-10(7-9-15)14-13(2,3)11(16)18-4/h10,14H,5-9H2,1-4H3
InChIKeyMZXNESSOEHBZKS-UHFFFAOYSA-N
XLogP1.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate (CID 43787109) is ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)(C)C(=O)OC)CC1.
What is the InChIKey of ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is MZXNESSOEHBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-19-12(17)15-8-6-10(7-9-15)14-13(2,3)11(16)18-4/h10,14H,5-9H2,1-4H3.
What are the key properties of ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 43787109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).