(2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid

C19H25N3O3 — CID 97415912

About (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid

(2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid (PubChem CID 97415912) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid
• PubChem CID: 97415912
• Molecular Formula: C19H25N3O3
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.19
• IUPAC Name: (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid
• SMILES: Cc1ccc(CN2CC[C@@H](N(C)Cc3cccnc3)C[C@@H]2C(=O)O)o1
• InChI: InChI=1S/C19H25N3O3/c1-14-5-6-17(25-14)13-22-9-7-16(10-18(22)19(23)24)21(2)12-15-4-3-8-20-11-15/h3-6,8,11,16,18H,7,9-10,12-13H2,1-2H3,(H,23,24)/t16-,18-/m1/s1
• InChIKey: RXWVAHCYQUSCHJ-SJLPKXTDSA-N
• XLogP: 2.53
• TPSA: 69.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid?

The IUPAC name of (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid (CID 97415912) is (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid.

What is the SMILES notation for (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid?

The canonical SMILES for (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid is Cc1ccc(CN2CC[C@@H](N(C)Cc3cccnc3)C[C@@H]2C(=O)O)o1.

What is the InChIKey of (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid?

The InChIKey is RXWVAHCYQUSCHJ-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-5-6-17(25-14)13-22-9-7-16(10-18(22)19(23)24)21(2)12-15-4-3-8-20-11-15/h3-6,8,11,16,18H,7,9-10,12-13H2,1-2H3,(H,23,24)/t16-,18-/m1/s1.

What are the key properties of (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid?

(2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid is sourced from PubChem (CID 97415912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).