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

C17H19N3O3 — CID 91915910

IUPAC4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)O)c1
InChIInChI=1S/C17H19N3O3/c1-23-13-7-5-6-12(10-13)15-14(16(21)22)11-18-17(19-15)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9H2,1H3,(H,21,22)
InChIKeyAGAVVAKZUGFJHW-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.84
Rot. Bonds4

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

4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 91915910) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID91915910
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)O)c1
InChIInChI=1S/C17H19N3O3/c1-23-13-7-5-6-12(10-13)15-14(16(21)22)11-18-17(19-15)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9H2,1H3,(H,21,22)
InChIKeyAGAVVAKZUGFJHW-UHFFFAOYSA-N
XLogP2.84
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-Phenoxypyrimidin-4-yl)amino]benzoic acid
CID 23647245
5-[(3-methoxyphenyl)carbonyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 11974955
2-(2-(Bis(4-methoxyphenyl)amino)-4-(3-fluorophenyl)pyrimidin-5-yl)acetic acid
CID 46880247
2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid
CID 658215
US10308615, Example 37
CID 124112196
2-[benzyl(methyl)amino]-4-(3-methoxyphenyl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 25218723
Ethyl 1-[(2-amino-5-pyrimidinyl)methyl]-4-(3-methoxybenzyl)-4-piperidinecarboxylate
CID 16190500
5-(2,5-Dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56758307
4-[2-(2-Methoxyanilino)pyrimidin-4-yl]benzoic acid
CID 145961234
4-Phenyl-2-(piperidin-1-yl)pyrimidine-5-carboxylic acid
CID 21712450
[2-(Benzylamino) pyrimidin-5-yl](3-methoxyphenyl) methanone
CID 124112210
Methyl 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 130366539

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid (CID 91915910) is 4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid is COc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is AGAVVAKZUGFJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-13-7-5-6-12(10-13)15-14(16(21)22)11-18-17(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 4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 91915910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).