(3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one

C16H30N2O2 — CID 59870978

IUPAC(3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one
SMILESCN[C@H]1CC(C)(C)C(C)(C)N(C(C)(C)CC(C)=O)C1=O
InChIInChI=1S/C16H30N2O2/c1-11(19)9-15(4,5)18-13(20)12(17-8)10-14(2,3)16(18,6)7/h12,17H,9-10H2,1-8H3/t12-/m0/s1
InChIKeyRONLUBZCNSKGIR-LBPRGKRZSA-N
MW282.43 g/mol
LogP2.37
Rot. Bonds4

About (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one

(3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one (PubChem CID 59870978) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one
PubChem CID59870978
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one
SMILESCN[C@H]1CC(C)(C)C(C)(C)N(C(C)(C)CC(C)=O)C1=O
InChIInChI=1S/C16H30N2O2/c1-11(19)9-15(4,5)18-13(20)12(17-8)10-14(2,3)16(18,6)7/h12,17H,9-10H2,1-8H3/t12-/m0/s1
InChIKeyRONLUBZCNSKGIR-LBPRGKRZSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one?
The IUPAC name of (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one (CID 59870978) is (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one.
What is the SMILES notation for (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one?
The canonical SMILES for (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one is CN[C@H]1CC(C)(C)C(C)(C)N(C(C)(C)CC(C)=O)C1=O.
What is the InChIKey of (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one?
The InChIKey is RONLUBZCNSKGIR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(19)9-15(4,5)18-13(20)12(17-8)10-14(2,3)16(18,6)7/h12,17H,9-10H2,1-8H3/t12-/m0/s1.
What are the key properties of (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one?
(3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one has a molecular weight of 282.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,5,6,6-tetramethyl-3-(methylamino)-1-(2-methyl-4-oxopentan-2-yl)piperidin-2-one is sourced from PubChem (CID 59870978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).