3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid

C16H25N3O4 — CID 72850465

IUPAC3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(Cc2cnc(COC)nc2)C1
InChIInChI=1S/C16H25N3O4/c1-22-7-5-16(15(20)21)4-3-6-19(12-16)10-13-8-17-14(11-23-2)18-9-13/h8-9H,3-7,10-12H2,1-2H3,(H,20,21)
InChIKeySZNWRVGYVRSPSC-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.33
Rot. Bonds8

About 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid

3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 72850465) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid
PubChem CID72850465
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(Cc2cnc(COC)nc2)C1
InChIInChI=1S/C16H25N3O4/c1-22-7-5-16(15(20)21)4-3-6-19(12-16)10-13-8-17-14(11-23-2)18-9-13/h8-9H,3-7,10-12H2,1-2H3,(H,20,21)
InChIKeySZNWRVGYVRSPSC-UHFFFAOYSA-N
XLogP1.33
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]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

(3S*,4S*)-4-isopropyl-1-{[2-(methoxymethyl)-5-pyrimidinyl]methyl}-3-pyrrolidinecarboxylic acid
CID 72866859
1-[4-(Ethylamino)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72915520
3-Ethyl-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-3-piperidinecarboxylic acid
CID 72864999
1-[5-Fluoro-4-(methylamino)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72872904
(3S)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120951
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952
(3S)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97124686
(3R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97124687
Ethyl 3-(2-methoxyethyl)-1-{[2-(methylthio)-5-pyrimidinyl]methyl}-3-piperidinecarboxylate
CID 45239974
ethyl (3R)-3-(2-methoxyethyl)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxylate
CID 42308978
ethyl (3S)-3-(2-methoxyethyl)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxylate
CID 42308985
1-(5-Methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 55161078

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid (CID 72850465) is 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(Cc2cnc(COC)nc2)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is SZNWRVGYVRSPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-22-7-5-16(15(20)21)4-3-6-19(12-16)10-13-8-17-14(11-23-2)18-9-13/h8-9H,3-7,10-12H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 72850465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).