5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid

C13H26N2O3 — CID 102966510

IUPAC5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CCCN1CCCC(OC)C1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-13(14-2,12(16)17)7-5-9-15-8-4-6-11(10-15)18-3/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyYZEIKHMZPZJMNP-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.94
Rot. Bonds7

About 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid

5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 102966510) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID102966510
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CCCN1CCCC(OC)C1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-13(14-2,12(16)17)7-5-9-15-8-4-6-11(10-15)18-3/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyYZEIKHMZPZJMNP-UHFFFAOYSA-N
XLogP0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 102968926
2-(ethylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 102968965
2-methyl-2-(methylamino)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
CID 66371956
5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 107394776
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 102966479
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 102966510) is 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CCCN1CCCC(OC)C1)C(=O)O.
What is the InChIKey of 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is YZEIKHMZPZJMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(14-2,12(16)17)7-5-9-15-8-4-6-11(10-15)18-3/h11,14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 102966510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).