1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid

C10H17NO4 — CID 63123330

IUPAC1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-10(9(13)14)3-5-11(6-4-10)8(12)7-15-2/h3-7H2,1-2H3,(H,13,14)
InChIKeyPVXQLRUECBVNON-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds3

About 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid

1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123330) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63123330
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-10(9(13)14)3-5-11(6-4-10)8(12)7-15-2/h3-7H2,1-2H3,(H,13,14)
InChIKeyPVXQLRUECBVNON-UHFFFAOYSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
CID 107160961
4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid
CID 103932837
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid
CID 113354340
1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123918
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid
CID 63123464
1-(7-aminoheptanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123998
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid (CID 63123330) is 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid is COCC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is PVXQLRUECBVNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(9(13)14)3-5-11(6-4-10)8(12)7-15-2/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).