1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one

C13H24N2O — CID 59848756

IUPAC1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)CN1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)10-14-8-5-12(6-9-14)15-7-3-4-13(15)16/h11-12H,3-10H2,1-2H3
InChIKeyNHEQTSMFMOHPQK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds3

About 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 59848756) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID59848756
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)CN1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)10-14-8-5-12(6-9-14)15-7-3-4-13(15)16/h11-12H,3-10H2,1-2H3
InChIKeyNHEQTSMFMOHPQK-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one (CID 59848756) is 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one is CC(C)CN1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is NHEQTSMFMOHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)10-14-8-5-12(6-9-14)15-7-3-4-13(15)16/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 59848756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).