2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid

C14H25NO3 — CID 66755540

IUPAC2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid
SMILESCCCCC1(C(C)(C)C)CC(=O)CCN1C(=O)O
InChIInChI=1S/C14H25NO3/c1-5-6-8-14(13(2,3)4)10-11(16)7-9-15(14)12(17)18/h5-10H2,1-4H3,(H,17,18)
InChIKeyKPDUHVNDLJBCCR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.30
Rot. Bonds3

About 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid

2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid (PubChem CID 66755540) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid
PubChem CID66755540
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid
SMILESCCCCC1(C(C)(C)C)CC(=O)CCN1C(=O)O
InChIInChI=1S/C14H25NO3/c1-5-6-8-14(13(2,3)4)10-11(16)7-9-15(14)12(17)18/h5-10H2,1-4H3,(H,17,18)
InChIKeyKPDUHVNDLJBCCR-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid?
The IUPAC name of 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid (CID 66755540) is 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid is CCCCC1(C(C)(C)C)CC(=O)CCN1C(=O)O.
What is the InChIKey of 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid?
The InChIKey is KPDUHVNDLJBCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-6-8-14(13(2,3)4)10-11(16)7-9-15(14)12(17)18/h5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid?
2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 66755540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).