2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide

C13H27N3O — CID 104968697

IUPAC2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide
SMILESC[C@@H]1CCC[C@H](C)N1CCCC(C)(N)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10-6-4-7-11(2)16(10)9-5-8-13(3,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)/t10-,11+,13?
InChIKeyWWROMEXMEAZHMG-QYJAPNMZSA-N
MW241.38 g/mol
LogP1.23
Rot. Bonds5

About 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide

2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide (PubChem CID 104968697) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide
PubChem CID104968697
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide
SMILESC[C@@H]1CCC[C@H](C)N1CCCC(C)(N)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10-6-4-7-11(2)16(10)9-5-8-13(3,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)/t10-,11+,13?
InChIKeyWWROMEXMEAZHMG-QYJAPNMZSA-N
XLogP1.23
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4107524
3-Amino-1-tert-butylpiperidin-2-one
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5-(2-Ethylpiperidyl)valeramide
CID 6424902
2-(1-Propan-2-ylpiperidin-4-yl)acetamide
CID 17987118
2-(1-Tert-butylpiperidin-4-yl)acetamide
CID 17987135
3-Amino-1,3-dimethylpiperidin-2-one
CID 19794946
3-Amino-3-propylpiperidin-2-one
CID 20491820
4-(1-Propan-2-ylpiperidin-4-yl)butanamide
CID 21054788
1-Propan-2-ylpiperidine-3-carboxamide
CID 22939836
(2S)-2-amino-4-methyl-1-[(2S)-2-methylpiperidin-1-yl]pentan-1-one
CID 28193745
(2S)-2-amino-4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one
CID 28193749

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide?
The IUPAC name of 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide (CID 104968697) is 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide?
The canonical SMILES for 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide is C[C@@H]1CCC[C@H](C)N1CCCC(C)(N)C(N)=O.
What is the InChIKey of 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide?
The InChIKey is WWROMEXMEAZHMG-QYJAPNMZSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10-6-4-7-11(2)16(10)9-5-8-13(3,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)/t10-,11+,13?.
What are the key properties of 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide?
2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide has a molecular weight of 241.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide is sourced from PubChem (CID 104968697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).