2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid

C14H25NO3 — CID 43437317

IUPAC2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC1CCN(C(=O)CC(C)(C(=O)O)C(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)14(4,13(17)18)9-12(16)15-7-5-11(3)6-8-15/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyXGWVAIOISKTJMV-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.38
Rot. Bonds4

About 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid

2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 43437317) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID43437317
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC1CCN(C(=O)CC(C)(C(=O)O)C(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)14(4,13(17)18)9-12(16)15-7-5-11(3)6-8-15/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyXGWVAIOISKTJMV-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid (CID 43437317) is 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid is CC1CCN(C(=O)CC(C)(C(=O)O)C(C)C)CC1.
What is the InChIKey of 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is XGWVAIOISKTJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)14(4,13(17)18)9-12(16)15-7-5-11(3)6-8-15/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid?
2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 43437317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).