1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid

C19H23N3O2 — CID 53214047

IUPAC1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCc1cc(C)c(-c2nccc(N3CCCC(C(=O)O)C3)n2)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-12-9-13(2)17(14(3)10-12)18-20-7-6-16(21-18)22-8-4-5-15(11-22)19(23)24/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,24)
InChIKeyJMFGIJKLSLZNBW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.37
Rot. Bonds3

About 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid

1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 53214047) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID53214047
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCc1cc(C)c(-c2nccc(N3CCCC(C(=O)O)C3)n2)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-12-9-13(2)17(14(3)10-12)18-20-7-6-16(21-18)22-8-4-5-15(11-22)19(23)24/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,24)
InChIKeyJMFGIJKLSLZNBW-UHFFFAOYSA-N
XLogP3.37
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2,4-dimethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069895
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide
CID 95069875
1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
CID 120964839
(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055787
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
(3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 95055736
N-(3-methoxypropyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 20933349
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055755
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid (CID 53214047) is 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid is Cc1cc(C)c(-c2nccc(N3CCCC(C(=O)O)C3)n2)c(C)c1.
What is the InChIKey of 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is JMFGIJKLSLZNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-9-13(2)17(14(3)10-12)18-20-7-6-16(21-18)22-8-4-5-15(11-22)19(23)24/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,24).
What are the key properties of 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 53214047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).