1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid

C11H19NO4 — CID 63123434

IUPAC1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOCCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-11(10(14)15)4-6-12(7-5-11)9(13)3-8-16-2/h3-8H2,1-2H3,(H,14,15)
InChIKeyDGOABHCTGRIRAJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.74
Rot. Bonds4

About 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid

1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123434) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63123434
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOCCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-11(10(14)15)4-6-12(7-5-11)9(13)3-8-16-2/h3-8H2,1-2H3,(H,14,15)
InChIKeyDGOABHCTGRIRAJ-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid (CID 63123434) is 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid is COCCC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is DGOABHCTGRIRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(10(14)15)4-6-12(7-5-11)9(13)3-8-16-2/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid?
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).