1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid

C15H23N3O3 — CID 56881120

IUPAC1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid
SMILESCCc1cnc(N2CCC(CCOC)(C(=O)O)CC2)nc1
InChIInChI=1S/C15H23N3O3/c1-3-12-10-16-14(17-11-12)18-7-4-15(5-8-18,13(19)20)6-9-21-2/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyKKANWWXJHNBYKW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.75
Rot. Bonds6

About 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid

1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid (PubChem CID 56881120) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid
PubChem CID56881120
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid
SMILESCCc1cnc(N2CCC(CCOC)(C(=O)O)CC2)nc1
InChIInChI=1S/C15H23N3O3/c1-3-12-10-16-14(17-11-12)18-7-4-15(5-8-18,13(19)20)6-9-21-2/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyKKANWWXJHNBYKW-UHFFFAOYSA-N
XLogP1.75
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 104605913
3,3-Dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 121305954
3-Fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 135382442
Ethyl 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylate
CID 135383169
ethyl (3S)-3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylate
CID 142475946
Methyl 1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylate
CID 142475989
(3S)-3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 142476065
(3S,4R)-3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 153465360
(3S)-3-fluoro-4-methyl-1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 158693834
Methyl 2-[3-hydroxy-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetate
CID 168150282
1-(5-Fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 104605914
4-Ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 113432067

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid (CID 56881120) is 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid is CCc1cnc(N2CCC(CCOC)(C(=O)O)CC2)nc1.
What is the InChIKey of 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid?
The InChIKey is KKANWWXJHNBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-12-10-16-14(17-11-12)18-7-4-15(5-8-18,13(19)20)6-9-21-2/h10-11H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid?
1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylpyrimidin-2-yl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56881120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).