4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

C16H24N2O3 — CID 114431472

IUPAC4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2cc(OC)cc(C)n2)C(C(=O)O)C1
InChIInChI=1S/C16H24N2O3/c1-4-12-5-6-18(15(8-12)16(19)20)10-13-9-14(21-3)7-11(2)17-13/h7,9,12,15H,4-6,8,10H2,1-3H3,(H,19,20)
InChIKeyCCSOODVAHDFDMX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.47
Rot. Bonds5

About 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (PubChem CID 114431472) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
PubChem CID114431472
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2cc(OC)cc(C)n2)C(C(=O)O)C1
InChIInChI=1S/C16H24N2O3/c1-4-12-5-6-18(15(8-12)16(19)20)10-13-9-14(21-3)7-11(2)17-13/h7,9,12,15H,4-6,8,10H2,1-3H3,(H,19,20)
InChIKeyCCSOODVAHDFDMX-UHFFFAOYSA-N
XLogP2.47
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849
4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114431427
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431052
4-ethyl-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 82895883
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 82893848
4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid
CID 114430831
8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82892806
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde
CID 82896519
[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115963754
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192816

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (CID 114431472) is 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is CCC1CCN(Cc2cc(OC)cc(C)n2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is CCSOODVAHDFDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-12-5-6-18(15(8-12)16(19)20)10-13-9-14(21-3)7-11(2)17-13/h7,9,12,15H,4-6,8,10H2,1-3H3,(H,19,20).
What are the key properties of 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114431472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).