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

C18H21N3O4 — CID 53214933

IUPAC2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)O)c(N3CCCCC3)n2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-24-14-7-6-12(10-15(14)25-2)16-19-11-13(18(22)23)17(20-16)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,22,23)
InChIKeyPEUMXNFPFVYXOY-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.85
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 53214933) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID53214933
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)O)c(N3CCCCC3)n2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-24-14-7-6-12(10-15(14)25-2)16-19-11-13(18(22)23)17(20-16)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,22,23)
InChIKeyPEUMXNFPFVYXOY-UHFFFAOYSA-N
XLogP2.85
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
morpholin-4-yl-[4-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]methanone
CID 42670236
N-(2-methylpropyl)-4-piperidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 42670243
[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42672046
1-[4-[2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 42670767
3-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46276326

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid (CID 53214933) is 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid is COc1ccc(-c2ncc(C(=O)O)c(N3CCCCC3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is PEUMXNFPFVYXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-14-7-6-12(10-15(14)25-2)16-19-11-13(18(22)23)17(20-16)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 53214933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).