1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid

C18H22N4O2 — CID 155900293

IUPAC1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1cc(N2CCC(C(=O)O)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H22N4O2/c1-12(2)15-11-16(22-9-6-13(7-10-22)18(23)24)21-17(20-15)14-5-3-4-8-19-14/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,23,24)
InChIKeyBOASADMKJSEWOV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.96
Rot. Bonds4

About 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid

1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 155900293) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID155900293
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1cc(N2CCC(C(=O)O)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H22N4O2/c1-12(2)15-11-16(22-9-6-13(7-10-22)18(23)24)21-17(20-15)14-5-3-4-8-19-14/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,23,24)
InChIKeyBOASADMKJSEWOV-UHFFFAOYSA-N
XLogP2.96
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 155900293) is 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is CC(C)c1cc(N2CCC(C(=O)O)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is BOASADMKJSEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)15-11-16(22-9-6-13(7-10-22)18(23)24)21-17(20-15)14-5-3-4-8-19-14/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,23,24).
What are the key properties of 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 155900293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).