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

C13H24N2O3 — CID 115047871

IUPACtert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
SMILESCC(=O)CC1(N)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-10(16)8-13(14)6-5-7-15(9-13)11(17)18-12(2,3)4/h5-9,14H2,1-4H3
InChIKeyOFDKIJJHLPBUQE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.69
Rot. Bonds2

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

tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate (PubChem CID 115047871) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
PubChem CID115047871
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
SMILESCC(=O)CC1(N)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-10(16)8-13(14)6-5-7-15(9-13)11(17)18-12(2,3)4/h5-9,14H2,1-4H3
InChIKeyOFDKIJJHLPBUQE-UHFFFAOYSA-N
XLogP1.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl 3-amino-3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 115048296
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
CID 146631053
tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
CID 129371675
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 3-amino-3-(aminomethyl)azetidine-1-carboxylate
CID 135393346
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82664676

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate (CID 115047871) is tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate is CC(=O)CC1(N)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate?
The InChIKey is OFDKIJJHLPBUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(16)8-13(14)6-5-7-15(9-13)11(17)18-12(2,3)4/h5-9,14H2,1-4H3.
What are the key properties of tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate?
tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 115047871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).