6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one

C22H24N4O3S — CID 131915811

About 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one

6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one (PubChem CID 131915811) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one.

Molecular Properties

• Compound Name: 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
• PubChem CID: 131915811
• Molecular Formula: C22H24N4O3S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.16
• IUPAC Name: 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
• SMILES: CC(C)c1noc(C2CCN(C(=O)c3ccc4sc5c(c4c3)CCNC5=O)CC2)n1
• InChI: InChI=1S/C22H24N4O3S/c1-12(2)19-24-21(29-25-19)13-6-9-26(10-7-13)22(28)14-3-4-17-16(11-14)15-5-8-23-20(27)18(15)30-17/h3-4,11-13H,5-10H2,1-2H3,(H,23,27)
• InChIKey: GXVLWFADHYMPNJ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?

The IUPAC name of 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one (CID 131915811) is 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one.

What is the SMILES notation for 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?

The canonical SMILES for 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one is CC(C)c1noc(C2CCN(C(=O)c3ccc4sc5c(c4c3)CCNC5=O)CC2)n1.

What is the InChIKey of 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?

The InChIKey is GXVLWFADHYMPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-12(2)19-24-21(29-25-19)13-6-9-26(10-7-13)22(28)14-3-4-17-16(11-14)15-5-8-23-20(27)18(15)30-17/h3-4,11-13H,5-10H2,1-2H3,(H,23,27).

What are the key properties of 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?

6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one has a molecular weight of 424.53 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one is sourced from PubChem (CID 131915811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).