[(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone

C13H22N2O — CID 144600111

IUPAC[(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone
SMILESC=C1CC(C)C[C@@H](C(=O)N2CCCCC2)N1
InChIInChI=1S/C13H22N2O/c1-10-8-11(2)14-12(9-10)13(16)15-6-4-3-5-7-15/h10,12,14H,2-9H2,1H3/t10?,12-/m0/s1
InChIKeyZHMBSHBKUYWEBG-KFJBMODSSA-N
MW222.33 g/mol
LogP1.90
Rot. Bonds1

About [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone

[(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 144600111) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone
PubChem CID144600111
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone
SMILESC=C1CC(C)C[C@@H](C(=O)N2CCCCC2)N1
InChIInChI=1S/C13H22N2O/c1-10-8-11(2)14-12(9-10)13(16)15-6-4-3-5-7-15/h10,12,14H,2-9H2,1H3/t10?,12-/m0/s1
InChIKeyZHMBSHBKUYWEBG-KFJBMODSSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone (CID 144600111) is [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone is C=C1CC(C)C[C@@H](C(=O)N2CCCCC2)N1.
What is the InChIKey of [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ZHMBSHBKUYWEBG-KFJBMODSSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-8-11(2)14-12(9-10)13(16)15-6-4-3-5-7-15/h10,12,14H,2-9H2,1H3/t10?,12-/m0/s1.
What are the key properties of [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone?
[(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 222.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-6-methylidenepiperidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 144600111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).