2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid

C15H26N2O3 — CID 166692470

IUPAC2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(N2CCC(=O)CC2)CCN1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-15(2,3)13-10-11(4-9-17(13)14(19)20)16-7-5-12(18)6-8-16/h11,13H,4-10H2,1-3H3,(H,19,20)
InChIKeyNDVAYOYJHPIQQJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.21
Rot. Bonds1

About 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid

2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 166692470) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID166692470
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(N2CCC(=O)CC2)CCN1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-15(2,3)13-10-11(4-9-17(13)14(19)20)16-7-5-12(18)6-8-16/h11,13H,4-10H2,1-3H3,(H,19,20)
InChIKeyNDVAYOYJHPIQQJ-UHFFFAOYSA-N
XLogP2.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid (CID 166692470) is 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid is CC(C)(C)C1CC(N2CCC(=O)CC2)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is NDVAYOYJHPIQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,3)13-10-11(4-9-17(13)14(19)20)16-7-5-12(18)6-8-16/h11,13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 166692470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).