1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid

C15H24N2O4 — CID 107071933

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid
SMILESCOCC1=CCN(C(=O)N2CCCC(C)C2C(=O)O)CC1
InChIInChI=1S/C15H24N2O4/c1-11-4-3-7-17(13(11)14(18)19)15(20)16-8-5-12(6-9-16)10-21-2/h5,11,13H,3-4,6-10H2,1-2H3,(H,18,19)
InChIKeyAKPUQALJOOHVSE-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.57
Rot. Bonds3

About 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071933) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107071933
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid
SMILESCOCC1=CCN(C(=O)N2CCCC(C)C2C(=O)O)CC1
InChIInChI=1S/C15H24N2O4/c1-11-4-3-7-17(13(11)14(18)19)15(20)16-8-5-12(6-9-16)10-21-2/h5,11,13H,3-4,6-10H2,1-2H3,(H,18,19)
InChIKeyAKPUQALJOOHVSE-UHFFFAOYSA-N
XLogP1.57
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid
CID 114412081
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071356
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071729
1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071779
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409778
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid
CID 114408134
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873
[1-(aminomethyl)cyclohexyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409734
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid (CID 107071933) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid is COCC1=CCN(C(=O)N2CCCC(C)C2C(=O)O)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is AKPUQALJOOHVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-4-3-7-17(13(11)14(18)19)15(20)16-8-5-12(6-9-16)10-21-2/h5,11,13H,3-4,6-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).