(4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

C19H23N3O2S — CID 125250254

About (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

(4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 125250254) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 125250254
• Molecular Formula: C19H23N3O2S
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.15
• IUPAC Name: (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: Cc1ccsc1CN1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1
• InChI: InChI=1S/C19H23N3O2S/c1-14-4-8-25-17(14)11-22-7-5-19(13-22)15(9-21-18(19)23)12-24-16-3-2-6-20-10-16/h2-4,6,8,10,15H,5,7,9,11-13H2,1H3,(H,21,23)/t15-,19-/m1/s1
• InChIKey: ARZBQHMPGWZIMV-DNVCBOLYSA-N
• XLogP: 2.47
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 125250254) is (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1ccsc1CN1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1.

What is the InChIKey of (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is ARZBQHMPGWZIMV-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-4-8-25-17(14)11-22-7-5-19(13-22)15(9-21-18(19)23)12-24-16-3-2-6-20-10-16/h2-4,6,8,10,15H,5,7,9,11-13H2,1H3,(H,21,23)/t15-,19-/m1/s1.

What are the key properties of (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

(4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 357.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 125250254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).