ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate

C13H24N2O4 — CID 43093103

IUPACethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)CCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H24N2O4/c1-3-18-12(16)5-8-14-11-6-9-15(10-7-11)13(17)19-4-2/h11,14H,3-10H2,1-2H3
InChIKeyWLSATMWMUHEWIF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.15
Rot. Bonds6

About ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate (PubChem CID 43093103) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
PubChem CID43093103
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)CCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H24N2O4/c1-3-18-12(16)5-8-14-11-6-9-15(10-7-11)13(17)19-4-2/h11,14H,3-10H2,1-2H3
InChIKeyWLSATMWMUHEWIF-UHFFFAOYSA-N
XLogP1.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

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CID 109017486
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ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292
ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028940
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
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CID 61483914

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate (CID 43093103) is ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate is CCOC(=O)CCNC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate?
The InChIKey is WLSATMWMUHEWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-18-12(16)5-8-14-11-6-9-15(10-7-11)13(17)19-4-2/h11,14H,3-10H2,1-2H3.
What are the key properties of ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 43093103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).