1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid

C15H22FN3O4 — CID 86283122

IUPAC1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(c2ncc(F)c(OC)n2)C1
InChIInChI=1S/C15H22FN3O4/c1-22-8-4-6-15(13(20)21)5-3-7-19(10-15)14-17-9-11(16)12(18-14)23-2/h9H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyMWRXFOIDLJDRJU-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.72
Rot. Bonds7

About 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid

1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid (PubChem CID 86283122) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
PubChem CID86283122
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Name1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(c2ncc(F)c(OC)n2)C1
InChIInChI=1S/C15H22FN3O4/c1-22-8-4-6-15(13(20)21)5-3-7-19(10-15)14-17-9-11(16)12(18-14)23-2/h9H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyMWRXFOIDLJDRJU-UHFFFAOYSA-N
XLogP1.72
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
1-[5-Fluoro-4-(methylamino)-2-pyrimidinyl]-3-(3-methoxypropyl)-3-piperidinecarboxylic acid
CID 72915601
[(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97135770
[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97135772
(3S)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97145067
(3R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97145068
(3aR,7aR)-2-(5-fluoro-4-methoxypyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137345259
rel-(3aR,7aR)-2-(5-fluoro-4-methoxy-2-pyrimidinyl)hexahydropyrano[3,4-c]pyrrole-3a(4H)-carboxylic acid
CID 154812290
1-(4-Methoxypyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154857273
rel-(1R,5S)-7-(5-fluoro-4-methoxy-2-pyrimidinyl)-7-azaspiro[4.5]decan-1-ol
CID 164697688
3-Ethyl-1-(4-methoxy-2-pyrimidinyl)-3-piperidinecarboxylic acid
CID 55165504
3-[1-(4-Methoxypyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 61708253

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid (CID 86283122) is 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid is COCCCC1(C(=O)O)CCCN(c2ncc(F)c(OC)n2)C1.
What is the InChIKey of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid?
The InChIKey is MWRXFOIDLJDRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4/c1-22-8-4-6-15(13(20)21)5-3-7-19(10-15)14-17-9-11(16)12(18-14)23-2/h9H,3-8,10H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid?
1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 86283122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).