6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C23H29N3O3 — CID 155495404

About 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 155495404) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
• PubChem CID: 155495404
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
• SMILES: CCc1[nH]c(=O)ccc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
• InChI: InChI=1S/C23H29N3O3/c1-2-19-18(10-11-21(27)24-19)23(28)26-14-15-29-20(16-25-12-6-7-13-25)22(26)17-8-4-3-5-9-17/h3-5,8-11,20,22H,2,6-7,12-16H2,1H3,(H,24,27)/t20-,22-/m0/s1
• InChIKey: SGJKOIDNTOVMMY-UNMCSNQZSA-N
• XLogP: 2.62
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 155495404) is 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is CCc1[nH]c(=O)ccc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.

What is the InChIKey of 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?

The InChIKey is SGJKOIDNTOVMMY-UNMCSNQZSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-19-18(10-11-21(27)24-19)23(28)26-14-15-29-20(16-25-12-6-7-13-25)22(26)17-8-4-3-5-9-17/h3-5,8-11,20,22H,2,6-7,12-16H2,1H3,(H,24,27)/t20-,22-/m0/s1.

What are the key properties of 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?

6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 395.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 155495404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).