1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one

C20H26N2O4 — CID 72838464

About 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one

1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 72838464) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one
• PubChem CID: 72838464
• Molecular Formula: C20H26N2O4
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.19
• IUPAC Name: 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one
• SMILES: CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(N3CCCC3=O)cc1)CC2
• InChI: InChI=1S/C20H26N2O4/c1-26-17-13-16(23)20(17)8-11-21(12-9-20)19(25)14-4-6-15(7-5-14)22-10-2-3-18(22)24/h4-7,16-17,23H,2-3,8-13H2,1H3/t16-,17+/m1/s1
• InChIKey: CBPIJZPXPAJLPF-SJORKVTESA-N
• XLogP: 1.82
• TPSA: 70.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one?

The IUPAC name of 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one (CID 72838464) is 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one?

The canonical SMILES for 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one is CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(N3CCCC3=O)cc1)CC2.

What is the InChIKey of 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one?

The InChIKey is CBPIJZPXPAJLPF-SJORKVTESA-N. The full InChI is InChI=1S/C20H26N2O4/c1-26-17-13-16(23)20(17)8-11-21(12-9-20)19(25)14-4-6-15(7-5-14)22-10-2-3-18(22)24/h4-7,16-17,23H,2-3,8-13H2,1H3/t16-,17+/m1/s1.

What are the key properties of 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one?

1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 72838464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).