2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one

C13H24N2O — CID 71077913

IUPAC2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one
SMILESCC(C)(C)N1CCC(C2NCCC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-13(2,3)15-8-5-10(6-9-15)12-11(16)4-7-14-12/h10,12,14H,4-9H2,1-3H3
InChIKeyQIPZXBYSTAKTTN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.43
Rot. Bonds1

About 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one

2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one (PubChem CID 71077913) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one
PubChem CID71077913
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one
SMILESCC(C)(C)N1CCC(C2NCCC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-13(2,3)15-8-5-10(6-9-15)12-11(16)4-7-14-12/h10,12,14H,4-9H2,1-3H3
InChIKeyQIPZXBYSTAKTTN-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one?
The IUPAC name of 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one (CID 71077913) is 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one.
What is the SMILES notation for 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one?
The canonical SMILES for 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one is CC(C)(C)N1CCC(C2NCCC2=O)CC1.
What is the InChIKey of 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one?
The InChIKey is QIPZXBYSTAKTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)15-8-5-10(6-9-15)12-11(16)4-7-14-12/h10,12,14H,4-9H2,1-3H3.
What are the key properties of 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one?
2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one has a molecular weight of 224.35 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-one is sourced from PubChem (CID 71077913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).