tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate

C16H30N2O4 — CID 57295880

IUPACtert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)CNCC(C(=O)OC(C)(C)C)N1CCCCC1
InChIInChI=1S/C16H30N2O4/c1-5-21-14(19)12-17-11-13(15(20)22-16(2,3)4)18-9-7-6-8-10-18/h13,17H,5-12H2,1-4H3
InChIKeyWIIRMOPEDXEUHE-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.34
Rot. Bonds7

About tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate

tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate (PubChem CID 57295880) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate
PubChem CID57295880
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)CNCC(C(=O)OC(C)(C)C)N1CCCCC1
InChIInChI=1S/C16H30N2O4/c1-5-21-14(19)12-17-11-13(15(20)22-16(2,3)4)18-9-7-6-8-10-18/h13,17H,5-12H2,1-4H3
InChIKeyWIIRMOPEDXEUHE-UHFFFAOYSA-N
XLogP1.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-O-tert-butyl 4-O-ethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 70429777
diethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 7060753
ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate
CID 60908986
ethyl 2-(2,2,3-trimethylbutylamino)acetate
CID 107095555
ethyl 4-piperidin-1-ylpentanoate
CID 67188448
tert-butyl (2S)-2-morpholin-4-ylbutanoate
CID 164532351
ethyl 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetate
CID 60681827
tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate
CID 67780429
1-O-tert-butyl 5-O-methyl 2-(1,4,7,10-tetrazacyclododec-1-yl)pentanedioate
CID 162500907
tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
tert-butyl 3-(2-pyrrolidin-1-ylpropylamino)propanoate
CID 103259516
tert-butyl 4-(4-ethoxy-4-oxobutan-2-yl)-1,4-diazepane-1-carboxylate
CID 104933575

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate?
The IUPAC name of tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate (CID 57295880) is tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate.
What is the SMILES notation for tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate?
The canonical SMILES for tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate is CCOC(=O)CNCC(C(=O)OC(C)(C)C)N1CCCCC1.
What is the InChIKey of tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate?
The InChIKey is WIIRMOPEDXEUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-5-21-14(19)12-17-11-13(15(20)22-16(2,3)4)18-9-7-6-8-10-18/h13,17H,5-12H2,1-4H3.
What are the key properties of tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate?
tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate has a molecular weight of 314.43 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate is sourced from PubChem (CID 57295880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).