1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide

C22H23N5O4S — CID 55484657

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 55484657) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
• PubChem CID: 55484657
• Molecular Formula: C22H23N5O4S
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.15
• IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
• SMILES: O=C(Nc1ccc(N2CCNC2=O)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
• InChI: InChI=1S/C22H23N5O4S/c28-21(24-16-5-7-17(8-6-16)27-14-11-23-22(27)29)15-9-12-26(13-10-15)20-18-3-1-2-4-19(18)32(30,31)25-20/h1-8,15H,9-14H2,(H,23,29)(H,24,28)
• InChIKey: FPPGYOCZOHULCE-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 111.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide (CID 55484657) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(N2CCNC2=O)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.

What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide?

The InChIKey is FPPGYOCZOHULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c28-21(24-16-5-7-17(8-6-16)27-14-11-23-22(27)29)15-9-12-26(13-10-15)20-18-3-1-2-4-19(18)32(30,31)25-20/h1-8,15H,9-14H2,(H,23,29)(H,24,28).

What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide?

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55484657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).