N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C18H22ClN3O4S — CID 119677685

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119677685) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
• PubChem CID: 119677685
• Molecular Formula: C18H22ClN3O4S
• Molecular Weight: 411.91 g/mol
• Exact Mass: 411.10
• IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
• SMILES: COC1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCNCC1.Cl
• InChI: InChI=1S/C18H21N3O4S.ClH/c1-23-18(4-6-19-7-5-18)16(22)21-17-20-13(11-26-17)12-2-3-14-15(10-12)25-9-8-24-14;/h2-3,10-11,19H,4-9H2,1H3,(H,20,21,22);1H
• InChIKey: DGGILPJROFSZQI-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 81.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.91
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride?

The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119677685) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride?

The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCNCC1.Cl.

What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride?

The InChIKey is DGGILPJROFSZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S.ClH/c1-23-18(4-6-19-7-5-18)16(22)21-17-20-13(11-26-17)12-2-3-14-15(10-12)25-9-8-24-14;/h2-3,10-11,19H,4-9H2,1H3,(H,20,21,22);1H.

What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride?

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 411.91 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119677685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).