[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium

C15H30N3O2+ — CID 8766762

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
SMILESC[C@@H]1CCCN(C(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-12-7-6-8-18(9-12)14(20)11-17(5)10-13(19)16-15(2,3)4/h12H,6-11H2,1-5H3,(H,16,19)/p+1/t12-/m1/s1
InChIKeyDRAFTNKXQBEYMY-GFCCVEGCSA-O
MW284.42 g/mol
LogP-0.33
Rot. Bonds4

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium (PubChem CID 8766762) has the molecular formula C15H30N3O2+ and a molecular weight of 284.42 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
PubChem CID8766762
Molecular FormulaC15H30N3O2+
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
SMILESC[C@@H]1CCCN(C(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-12-7-6-8-18(9-12)14(20)11-17(5)10-13(19)16-15(2,3)4/h12H,6-11H2,1-5H3,(H,16,19)/p+1/t12-/m1/s1
InChIKeyDRAFTNKXQBEYMY-GFCCVEGCSA-O
XLogP-0.33
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
CID 8552428
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide
CID 99785323
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
CID 8818669
[2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8768274
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 11934751
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
CID 11938519
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 62836548

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium (CID 8766762) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium is C[C@@H]1CCCN(C(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium?
The InChIKey is DRAFTNKXQBEYMY-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H29N3O2/c1-12-7-6-8-18(9-12)14(20)11-17(5)10-13(19)16-15(2,3)4/h12H,6-11H2,1-5H3,(H,16,19)/p+1/t12-/m1/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium has a molecular weight of 284.42 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium is sourced from PubChem (CID 8766762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).