[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

C13H24N2O — CID 104939658

IUPAC[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-9-7-10(2)11(3)15(8-9)13(16)12-5-4-6-14-12/h9-12,14H,4-8H2,1-3H3/t9?,10?,11?,12-/m0/s1
InChIKeyGXQJXULRKQSUMG-ROAFRPBMSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds1

About [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 104939658) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID104939658
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-9-7-10(2)11(3)15(8-9)13(16)12-5-4-6-14-12/h9-12,14H,4-8H2,1-3H3/t9?,10?,11?,12-/m0/s1
InChIKeyGXQJXULRKQSUMG-ROAFRPBMSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 104939658) is [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is GXQJXULRKQSUMG-ROAFRPBMSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-7-10(2)11(3)15(8-9)13(16)12-5-4-6-14-12/h9-12,14H,4-8H2,1-3H3/t9?,10?,11?,12-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 104939658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).