1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid

C20H25N3O4 — CID 70776089

IUPAC1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCCc1ncc(CN2CCC(Oc3ccccc3OC)(C(=O)O)CC2)cn1
InChIInChI=1S/C20H25N3O4/c1-3-18-21-12-15(13-22-18)14-23-10-8-20(9-11-23,19(24)25)27-17-7-5-4-6-16(17)26-2/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,24,25)
InChIKeyLJYTYOZGFZEEDE-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.55
Rot. Bonds7

About 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid

1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (PubChem CID 70776089) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
PubChem CID70776089
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCCc1ncc(CN2CCC(Oc3ccccc3OC)(C(=O)O)CC2)cn1
InChIInChI=1S/C20H25N3O4/c1-3-18-21-12-15(13-22-18)14-23-10-8-20(9-11-23,19(24)25)27-17-7-5-4-6-16(17)26-2/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,24,25)
InChIKeyLJYTYOZGFZEEDE-UHFFFAOYSA-N
XLogP2.55
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 70718212
1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
CID 70710195
1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70757151
(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92589298
1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96576694
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 124751059
1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82129517
1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96575394
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70755771
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 171667355
1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82131439

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (CID 70776089) is 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is CCc1ncc(CN2CCC(Oc3ccccc3OC)(C(=O)O)CC2)cn1.
What is the InChIKey of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The InChIKey is LJYTYOZGFZEEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-18-21-12-15(13-22-18)14-23-10-8-20(9-11-23,19(24)25)27-17-7-5-4-6-16(17)26-2/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,24,25).
What are the key properties of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 70776089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).