tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate

C14H25NO3 — CID 10777405

IUPACtert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCC=O)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h11-12H,4-10H2,1-3H3
InChIKeyHEXRGZVOCHOEAE-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.00
Rot. Bonds4

About tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate

tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate (PubChem CID 10777405) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate
PubChem CID10777405
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCC=O)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h11-12H,4-10H2,1-3H3
InChIKeyHEXRGZVOCHOEAE-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate (CID 10777405) is tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCCC=O)CC1.
What is the InChIKey of tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate?
The InChIKey is HEXRGZVOCHOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h11-12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate?
tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate is sourced from PubChem (CID 10777405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).