2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide

C15H30N2O — CID 167386456

IUPAC2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@@H](C[C@H]1CCCCN1C)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)14(16-15(18)12(3)4)10-13-8-6-7-9-17(13)5/h11-14H,6-10H2,1-5H3,(H,16,18)/t13-,14+/m1/s1
InChIKeyBRNJEAXQTUDTPI-KGLIPLIRSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds5

About 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide

2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide (PubChem CID 167386456) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide
PubChem CID167386456
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@@H](C[C@H]1CCCCN1C)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)14(16-15(18)12(3)4)10-13-8-6-7-9-17(13)5/h11-14H,6-10H2,1-5H3,(H,16,18)/t13-,14+/m1/s1
InChIKeyBRNJEAXQTUDTPI-KGLIPLIRSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide (CID 167386456) is 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide is CC(C)C(=O)N[C@@H](C[C@H]1CCCCN1C)C(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide?
The InChIKey is BRNJEAXQTUDTPI-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)14(16-15(18)12(3)4)10-13-8-6-7-9-17(13)5/h11-14H,6-10H2,1-5H3,(H,16,18)/t13-,14+/m1/s1.
What are the key properties of 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide?
2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide is sourced from PubChem (CID 167386456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).