tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

C15H28N2O4 — CID 44890953

IUPACtert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC(N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3
InChIKeyLIWIVVWMLYSOFS-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.91
Rot. Bonds4

About tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 44890953) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID44890953
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC(N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3
InChIKeyLIWIVVWMLYSOFS-UHFFFAOYSA-N
XLogP1.91
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}propanoic acid
CID 22309159
Tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 24729647
3-N-Boc-amino-3-(4')-piperidine-propionic acid
CID 24729684
rac-1-tert-butyl 4-ethyl (3R,4R)-3-aminopiperidine-1,4-dicarboxylate
CID 137942804
(R)-4-(2-Amino-2-carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester
CID 27281813
tert-Butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate hydrochloride
CID 46738164
Tert-butyl 4-(3-amino-4-methoxy-4-oxobutyl)piperidine-1-carboxylate
CID 72490033
(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid
CID 34178705
Ethyl 4-((tert-butoxycarbonyl)amino)piperidine-3-carboxylate
CID 121415477
Tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate
CID 140713593
Rel-1-(tert-butyl) 3-methyl (3S,4S)-4-aminopiperidine-1,3-dicarboxylate
CID 10934154
1-(tert-Butyl) 3-methyl (3R,4R)-4-aminopiperidine-1,3-dicarboxylate
CID 11065110

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (CID 44890953) is tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is CCOC(=O)CC(N)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is LIWIVVWMLYSOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3.
What are the key properties of tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 44890953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).