1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

C14H21N3O2 — CID 43428284

IUPAC1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)nc(C(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-9(2)13-15-10(3)7-12(16-13)17-6-4-5-11(8-17)14(18)19/h7,9,11H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyGNSSLZYSONMFGL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds3

About 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 43428284) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID43428284
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)nc(C(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-9(2)13-15-10(3)7-12(16-13)17-6-4-5-11(8-17)14(18)19/h7,9,11H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyGNSSLZYSONMFGL-UHFFFAOYSA-N
XLogP2.21
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 43428284) is 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is Cc1cc(N2CCCC(C(=O)O)C2)nc(C(C)C)n1.
What is the InChIKey of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is GNSSLZYSONMFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)13-15-10(3)7-12(16-13)17-6-4-5-11(8-17)14(18)19/h7,9,11H,4-6,8H2,1-3H3,(H,18,19).
What are the key properties of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43428284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).