5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one

C18H25N3O2 — CID 133131912

About 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one

5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one (PubChem CID 133131912) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one
• PubChem CID: 133131912
• Molecular Formula: C18H25N3O2
• Molecular Weight: 315.42 g/mol
• Exact Mass: 315.19
• IUPAC Name: 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one
• SMILES: Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)ccc1=O
• InChI: InChI=1S/C18H25N3O2/c1-19-11-15(5-7-17(19)22)18(23)21-10-14-4-6-16(12-21)20(9-14)8-13-2-3-13/h5,7,11,13-14,16H,2-4,6,8-10,12H2,1H3/t14-,16-/m0/s1
• InChIKey: AUTOHJUUVDLCMV-HOCLYGCPSA-N
• XLogP: 1.33
• TPSA: 45.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.42
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one?

The IUPAC name of 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one (CID 133131912) is 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one.

What is the SMILES notation for 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one?

The canonical SMILES for 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)ccc1=O.

What is the InChIKey of 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one?

The InChIKey is AUTOHJUUVDLCMV-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-11-15(5-7-17(19)22)18(23)21-10-14-4-6-16(12-21)20(9-14)8-13-2-3-13/h5,7,11,13-14,16H,2-4,6,8-10,12H2,1H3/t14-,16-/m0/s1.

What are the key properties of 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one?

5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 133131912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).