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

C14H22N2O4 — CID 114412081

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid
SMILESCOCC1=CCN(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O4/c1-20-10-11-4-7-15(8-5-11)14(19)16-6-2-3-12(9-16)13(17)18/h4,12H,2-3,5-10H2,1H3,(H,17,18)
InChIKeyUEFCKURSRNGTLY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.18
Rot. Bonds3

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

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid (PubChem CID 114412081) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid
PubChem CID114412081
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid
SMILESCOCC1=CCN(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O4/c1-20-10-11-4-7-15(8-5-11)14(19)16-6-2-3-12(9-16)13(17)18/h4,12H,2-3,5-10H2,1H3,(H,17,18)
InChIKeyUEFCKURSRNGTLY-UHFFFAOYSA-N
XLogP1.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.18
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]-3-methylpiperidine-2-carboxylic acid
CID 107071933
cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320185
azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409778
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81126342
(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 104941009
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid (CID 114412081) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid is COCC1=CCN(C(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is UEFCKURSRNGTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-20-10-11-4-7-15(8-5-11)14(19)16-6-2-3-12(9-16)13(17)18/h4,12H,2-3,5-10H2,1H3,(H,17,18).
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.18, 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]piperidine-3-carboxylic acid is sourced from PubChem (CID 114412081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).