4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid

C19H20N2O4 — CID 56901351

IUPAC4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ccccc1OC1(C(=O)O)CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C19H20N2O4/c1-14-4-2-3-5-16(14)25-19(18(23)24)8-12-21(13-9-19)17(22)15-6-10-20-11-7-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,23,24)
InChIKeyNNPKOIKJFLYWSX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.53
Rot. Bonds4

About 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid

4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56901351) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID56901351
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ccccc1OC1(C(=O)O)CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C19H20N2O4/c1-14-4-2-3-5-16(14)25-19(18(23)24)8-12-21(13-9-19)17(22)15-6-10-20-11-7-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,23,24)
InChIKeyNNPKOIKJFLYWSX-UHFFFAOYSA-N
XLogP2.53
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)acetyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 56905537
4-(2-methylphenoxy)-1-[(2S)-2-pyrrol-1-ylpropanoyl]piperidine-4-carboxylic acid
CID 95867518
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 56889702
4-(2-methylphenoxy)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxylic acid
CID 95862242
4-(2-methylphenoxy)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 56907332
[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 132764030
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone
CID 24733333
2-(2-methylphenoxy)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798910
4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56883286
1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 56886349
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid (CID 56901351) is 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid is Cc1ccccc1OC1(C(=O)O)CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is NNPKOIKJFLYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-14-4-2-3-5-16(14)25-19(18(23)24)8-12-21(13-9-19)17(22)15-6-10-20-11-7-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,23,24).
What are the key properties of 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid?
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56901351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).