6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid

C20H22N2O4 — CID 122113029

IUPAC6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-14-7-8-17(20(24)25)12-22(14)19(23)16-9-10-21-18(11-16)26-13-15-5-3-2-4-6-15/h2-6,9-11,14,17H,7-8,12-13H2,1H3,(H,24,25)
InChIKeyBCKWJSWALYRRMC-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.99
Rot. Bonds5

About 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid

6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122113029) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID122113029
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-14-7-8-17(20(24)25)12-22(14)19(23)16-9-10-21-18(11-16)26-13-15-5-3-2-4-6-15/h2-6,9-11,14,17H,7-8,12-13H2,1H3,(H,24,25)
InChIKeyBCKWJSWALYRRMC-UHFFFAOYSA-N
XLogP2.99
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122116549
(6R)-6-methyl-4-(2-phenylmethoxypyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 120536224
1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112894
4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524557
1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 56798532
ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 47069831
1-[3-(cyanomethyl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113089
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone
CID 75463364
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid (CID 122113029) is 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is BCKWJSWALYRRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-7-8-17(20(24)25)12-22(14)19(23)16-9-10-21-18(11-16)26-13-15-5-3-2-4-6-15/h2-6,9-11,14,17H,7-8,12-13H2,1H3,(H,24,25).
What are the key properties of 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid?
6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122113029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).