tert-butyl 2-propanoylpiperidine-1-carboxylate

C13H23NO3 — CID 53415254

IUPACtert-butyl 2-propanoylpiperidine-1-carboxylate
SMILESCCC(=O)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-5-11(15)10-8-6-7-9-14(10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyULEXMXPJOTZHNL-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.76
Rot. Bonds2

About tert-butyl 2-propanoylpiperidine-1-carboxylate

tert-butyl 2-propanoylpiperidine-1-carboxylate (PubChem CID 53415254) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 2-propanoylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-propanoylpiperidine-1-carboxylate
PubChem CID53415254
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl 2-propanoylpiperidine-1-carboxylate
SMILESCCC(=O)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-5-11(15)10-8-6-7-9-14(10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyULEXMXPJOTZHNL-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 2-methyl-3-oxopiperidine-1-carboxylate
CID 45790084
Tert-butyl 3-oxopiperidine-1-carboxylate
CID 2756825
tert-Butyl 2-formylpiperidine-1-carboxylate
CID 10656219
tert-butyl (2S)-2-acetylpiperidine-1-carboxylate
CID 11206921
tert-Butyl 2-acetylpiperidine-1-carboxylate
CID 11790941
tert-Butyl (2R)-2-methyl-4-oxopiperidine-1-carboxylate
CID 25110958
Tert-butyl 2,2-dimethyl-5-oxopiperidine-1-carboxylate
CID 115269489
tert-butyl (2R)-2-formylpiperidine-1-carboxylate
CID 10703805
tert-butyl (2S)-2-methyl-4-oxopiperidine-1-carboxylate
CID 11401606
tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate
CID 12992764
tert-Butyl 2-ethyl-4-oxopiperidine-1-carboxylate
CID 22495585
N-Boc-9-azabicyclo[3.3.1]nonan-3-one
CID 45790088

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-propanoylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-propanoylpiperidine-1-carboxylate (CID 53415254) is tert-butyl 2-propanoylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-propanoylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-propanoylpiperidine-1-carboxylate is CCC(=O)C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-propanoylpiperidine-1-carboxylate?
The InChIKey is ULEXMXPJOTZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-11(15)10-8-6-7-9-14(10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-propanoylpiperidine-1-carboxylate?
tert-butyl 2-propanoylpiperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-propanoylpiperidine-1-carboxylate is sourced from PubChem (CID 53415254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).