2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid

C17H19N3O2 — CID 42669959

IUPAC2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCc1cccc(-c2ncc(C(=O)O)c(N3CCCCC3)n2)c1
InChIInChI=1S/C17H19N3O2/c1-12-6-5-7-13(10-12)15-18-11-14(17(21)22)16(19-15)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9H2,1H3,(H,21,22)
InChIKeyKSQKWPRCDUWCBY-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.14
Rot. Bonds3

About 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid

2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 42669959) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID42669959
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCc1cccc(-c2ncc(C(=O)O)c(N3CCCCC3)n2)c1
InChIInChI=1S/C17H19N3O2/c1-12-6-5-7-13(10-12)15-18-11-14(17(21)22)16(19-15)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9H2,1H3,(H,21,22)
InChIKeyKSQKWPRCDUWCBY-UHFFFAOYSA-N
XLogP3.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 42670767
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42670750
[4-(4-benzylpiperazin-1-yl)-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670917
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670939
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide
CID 93138303

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid (CID 42669959) is 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid is Cc1cccc(-c2ncc(C(=O)O)c(N3CCCCC3)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is KSQKWPRCDUWCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-6-5-7-13(10-12)15-18-11-14(17(21)22)16(19-15)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9H2,1H3,(H,21,22).
What are the key properties of 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 42669959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).