(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

C19H33N3O3 — CID 163315933

About (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 163315933) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
• PubChem CID: 163315933
• Molecular Formula: C19H33N3O3
• Molecular Weight: 351.49 g/mol
• Exact Mass: 351.25
• IUPAC Name: (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
• SMILES: CCCn1ncc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)c1C
• InChI: InChI=1S/C19H33N3O3/c1-5-9-22-15(4)16(11-20-22)12-21-10-7-17(23)19(13-21,18(24)25)8-6-14(2)3/h11,14,17,23H,5-10,12-13H2,1-4H3,(H,24,25)/t17-,19-/m1/s1
• InChIKey: KNGOQVNSNIRDGR-IEBWSBKVSA-N
• XLogP: 2.68
• TPSA: 78.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.49
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?

The IUPAC name of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 163315933) is (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?

The canonical SMILES for (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is CCCn1ncc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)c1C.

What is the InChIKey of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?

The InChIKey is KNGOQVNSNIRDGR-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-5-9-22-15(4)16(11-20-22)12-21-10-7-17(23)19(13-21,18(24)25)8-6-14(2)3/h11,14,17,23H,5-10,12-13H2,1-4H3,(H,24,25)/t17-,19-/m1/s1.

What are the key properties of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?

(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 351.49 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 163315933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).