2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride

C13H26ClN3O2 — CID 119727585

IUPAC2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC(CC(N)=O)CC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)11(15)12(18)16-6-4-9(5-7-16)8-10(14)17;/h9,11H,4-8,15H2,1-3H3,(H2,14,17);1H/t11-;/m1./s1
InChIKeyMXPGGCAOLFVOMM-RFVHGSKJSA-N
MW291.82 g/mol
LogP0.90
Rot. Bonds3

About 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride

2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride (PubChem CID 119727585) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride
PubChem CID119727585
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC(CC(N)=O)CC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)11(15)12(18)16-6-4-9(5-7-16)8-10(14)17;/h9,11H,4-8,15H2,1-3H3,(H2,14,17);1H/t11-;/m1./s1
InChIKeyMXPGGCAOLFVOMM-RFVHGSKJSA-N
XLogP0.90
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride (CID 119727585) is 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)N1CCC(CC(N)=O)CC1.Cl.
What is the InChIKey of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride?
The InChIKey is MXPGGCAOLFVOMM-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-13(2,3)11(15)12(18)16-6-4-9(5-7-16)8-10(14)17;/h9,11H,4-8,15H2,1-3H3,(H2,14,17);1H/t11-;/m1./s1.
What are the key properties of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride?
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119727585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).