1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid

C14H21N3O3 — CID 115972892

IUPAC1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCCCOc1cc(C)nc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C14H21N3O3/c1-3-8-20-12-9-10(2)15-14(16-12)17-6-4-11(5-7-17)13(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyFBTSGNTVNJYVGT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds5

About 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid

1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 115972892) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID115972892
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCCCOc1cc(C)nc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C14H21N3O3/c1-3-8-20-12-9-10(2)15-14(16-12)17-6-4-11(5-7-17)13(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyFBTSGNTVNJYVGT-UHFFFAOYSA-N
XLogP1.87
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 115973416
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
N-(2-methoxyethyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 43817666
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 115973341
1-(2-chloroethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)-1,4-diazepane
CID 115973845
1-(4-methyl-6-propoxypyrimidin-2-yl)-3-propylazetidin-3-amine
CID 112635869
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634859
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate
CID 115973681

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid (CID 115972892) is 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid is CCCOc1cc(C)nc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is FBTSGNTVNJYVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-8-20-12-9-10(2)15-14(16-12)17-6-4-11(5-7-17)13(18)19/h9,11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115972892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).