tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate

C14H26N2O4 — CID 84715449

IUPACtert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)C(N)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-8-6-5-7-10(16)9-11(15)12(17)19-4/h10-11H,5-9,15H2,1-4H3
InChIKeyUARZMJAITSDITP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.67
Rot. Bonds3

About tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate

tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 84715449) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID84715449
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)C(N)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-8-6-5-7-10(16)9-11(15)12(17)19-4/h10-11H,5-9,15H2,1-4H3
InChIKeyUARZMJAITSDITP-UHFFFAOYSA-N
XLogP1.67
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-(2-hydroxy-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 134341292
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl (2R)-2-(2-hydrazinyl-2-oxoethyl)piperidine-1-carboxylate
CID 126582665
tert-butyl 2-[2-(1-methoxypropan-2-ylamino)propyl]azepane-1-carboxylate
CID 103724545
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate (CID 84715449) is tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate is COC(=O)C(N)CC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is UARZMJAITSDITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-8-6-5-7-10(16)9-11(15)12(17)19-4/h10-11H,5-9,15H2,1-4H3.
What are the key properties of tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 84715449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).