1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one

C13H24N2O — CID 166007971

IUPAC1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
SMILESCC(C)(C)N1CCC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C13H24N2O/c1-13(2,3)14-8-4-6-11(10-14)15-9-5-7-12(15)16/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyMGOTUMJQUSWHKW-NSHDSACASA-N
MW224.35 g/mol
LogP1.87
Rot. Bonds1

About 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one

1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one (PubChem CID 166007971) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
PubChem CID166007971
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
SMILESCC(C)(C)N1CCC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C13H24N2O/c1-13(2,3)14-8-4-6-11(10-14)15-9-5-7-12(15)16/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyMGOTUMJQUSWHKW-NSHDSACASA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
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1-cyclodecylpyrrolidin-2-one
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azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
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1-(1-tert-butylpiperidin-3-yl)pyridin-2-one
CID 59009455
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one (CID 166007971) is 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one is CC(C)(C)N1CCC[C@H](N2CCCC2=O)C1.
What is the InChIKey of 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one?
The InChIKey is MGOTUMJQUSWHKW-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)14-8-4-6-11(10-14)15-9-5-7-12(15)16/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one?
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 166007971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).