[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

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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).