N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide

C20H25N3O3S — CID 119677674

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide (PubChem CID 119677674) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
• PubChem CID: 119677674
• Molecular Formula: C20H25N3O3S
• Molecular Weight: 387.51 g/mol
• Exact Mass: 387.16
• IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
• SMILES: CC(CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCNC1
• InChI: InChI=1S/C20H25N3O3S/c1-13(15-3-2-6-21-11-15)9-19(24)23-20-22-16(12-27-20)14-4-5-17-18(10-14)26-8-7-25-17/h4-5,10,12-13,15,21H,2-3,6-9,11H2,1H3,(H,22,23,24)
• InChIKey: PWDDKZCBYSHKNP-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.51
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?

The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide (CID 119677674) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide.

What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?

The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCNC1.

What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?

The InChIKey is PWDDKZCBYSHKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13(15-3-2-6-21-11-15)9-19(24)23-20-22-16(12-27-20)14-4-5-17-18(10-14)26-8-7-25-17/h4-5,10,12-13,15,21H,2-3,6-9,11H2,1H3,(H,22,23,24).

What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 387.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119677674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).