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

C22H27N3O3 — CID 155507255

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

6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 155507255) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
• PubChem CID: 155507255
• Molecular Formula: C22H27N3O3
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.21
• IUPAC Name: 6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1cc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)cc(=O)[nH]1
• InChI: InChI=1S/C22H27N3O3/c1-16-13-18(14-20(26)23-16)22(27)25-11-12-28-19(15-24-9-5-6-10-24)21(25)17-7-3-2-4-8-17/h2-4,7-8,13-14,19,21H,5-6,9-12,15H2,1H3,(H,23,26)/t19-,21-/m0/s1
• InChIKey: JFUOCOCYNBALRM-FPOVZHCZSA-N
• XLogP: 2.36
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 155507255) is 6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

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

The canonical SMILES for 6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)cc(=O)[nH]1.

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

The InChIKey is JFUOCOCYNBALRM-FPOVZHCZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-13-18(14-20(26)23-16)22(27)25-11-12-28-19(15-24-9-5-6-10-24)21(25)17-7-3-2-4-8-17/h2-4,7-8,13-14,19,21H,5-6,9-12,15H2,1H3,(H,23,26)/t19-,21-/m0/s1.

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

6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 381.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 155507255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).