ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate

C20H30N4O3 — CID 26394539

About ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate

ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate (PubChem CID 26394539) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate
• PubChem CID: 26394539
• Molecular Formula: C20H30N4O3
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.23
• IUPAC Name: ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate
• SMILES: CCOC(=O)CNC(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1
• InChI: InChI=1S/C20H30N4O3/c1-2-27-19(25)13-22-20(26)24-11-7-18(15-24)17-5-9-23(10-6-17)14-16-4-3-8-21-12-16/h3-4,8,12,17-18H,2,5-7,9-11,13-15H2,1H3,(H,22,26)/t18-/m0/s1
• InChIKey: WTHBHKXMJGCJKG-SFHVURJKSA-N
• XLogP: 1.89
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate?

The IUPAC name of ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate (CID 26394539) is ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate.

What is the SMILES notation for ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate?

The canonical SMILES for ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1.

What is the InChIKey of ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate?

The InChIKey is WTHBHKXMJGCJKG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-27-19(25)13-22-20(26)24-11-7-18(15-24)17-5-9-23(10-6-17)14-16-4-3-8-21-12-16/h3-4,8,12,17-18H,2,5-7,9-11,13-15H2,1H3,(H,22,26)/t18-/m0/s1.

What are the key properties of ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate?

ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate has a molecular weight of 374.49 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 26394539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).