4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid

C12H23NO4 — CID 115000019

IUPAC4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid
SMILESCOCCC(C)(C(=O)O)N1CCC(OC)CC1
InChIInChI=1S/C12H23NO4/c1-12(11(14)15,6-9-16-2)13-7-4-10(17-3)5-8-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyZQEHDYCNRYUCDU-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.98
Rot. Bonds6

About 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid

4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid (PubChem CID 115000019) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid
PubChem CID115000019
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid
SMILESCOCCC(C)(C(=O)O)N1CCC(OC)CC1
InChIInChI=1S/C12H23NO4/c1-12(11(14)15,6-9-16-2)13-7-4-10(17-3)5-8-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyZQEHDYCNRYUCDU-UHFFFAOYSA-N
XLogP0.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid
CID 82238527
4-methoxy-1-(2-methylpentan-2-yl)piperidine
CID 146178496
4-methoxy-2-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine
CID 103531700
4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297955
2-(azepan-1-yl)-3-methoxy-2-methylpropanoic acid
CID 62535285
3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid
CID 103224529
2-cycloheptyloxy-4-methoxy-2-methylbutanoic acid
CID 114999950
2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62820761
3-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylpropan-1-amine
CID 62534739
2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol
CID 170631358
2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid
CID 150543821
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid?
The IUPAC name of 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid (CID 115000019) is 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid is COCCC(C)(C(=O)O)N1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid?
The InChIKey is ZQEHDYCNRYUCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-12(11(14)15,6-9-16-2)13-7-4-10(17-3)5-8-13/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid?
4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 115000019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).