4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid

C20H24N2O3 — CID 167777899

IUPAC4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCOCC1(C(=O)O)CCN(Cc2ccc(-c3ccncc3)cc2)CC1
InChIInChI=1S/C20H24N2O3/c1-25-15-20(19(23)24)8-12-22(13-9-20)14-16-2-4-17(5-3-16)18-6-10-21-11-7-18/h2-7,10-11H,8-9,12-15H2,1H3,(H,23,24)
InChIKeyATXMABQSHDLESR-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.06
Rot. Bonds6

About 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid

4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 167777899) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID167777899
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCOCC1(C(=O)O)CCN(Cc2ccc(-c3ccncc3)cc2)CC1
InChIInChI=1S/C20H24N2O3/c1-25-15-20(19(23)24)8-12-22(13-9-20)14-16-2-4-17(5-3-16)18-6-10-21-11-7-18/h2-7,10-11H,8-9,12-15H2,1H3,(H,23,24)
InChIKeyATXMABQSHDLESR-UHFFFAOYSA-N
XLogP3.06
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231391
1-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid
CID 166267189
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580024
1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083413
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
2-(methoxymethyl)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 154761342
(3R)-1-[(3-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92610002
1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129460090
1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid
CID 154763103
1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126776

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid (CID 167777899) is 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid is COCC1(C(=O)O)CCN(Cc2ccc(-c3ccncc3)cc2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is ATXMABQSHDLESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-25-15-20(19(23)24)8-12-22(13-9-20)14-16-2-4-17(5-3-16)18-6-10-21-11-7-18/h2-7,10-11H,8-9,12-15H2,1H3,(H,23,24).
What are the key properties of 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid?
4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 167777899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).