N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C22H29N5O3S — CID 55719254

About N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55719254) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
• PubChem CID: 55719254
• Molecular Formula: C22H29N5O3S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.20
• IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
• SMILES: O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CCN(C(=O)N2CCCC2)CC1
• InChI: InChI=1S/C22H29N5O3S/c28-20(16-5-9-27(10-6-16)22(29)26-7-1-2-8-26)23-17-3-4-18-19(15-17)31-21(24-18)25-11-13-30-14-12-25/h3-4,15-16H,1-2,5-14H2,(H,23,28)
• InChIKey: OSGFTJUENGSJKY-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55719254) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CCN(C(=O)N2CCCC2)CC1.

What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?

The InChIKey is OSGFTJUENGSJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c28-20(16-5-9-27(10-6-16)22(29)26-7-1-2-8-26)23-17-3-4-18-19(15-17)31-21(24-18)25-11-13-30-14-12-25/h3-4,15-16H,1-2,5-14H2,(H,23,28).

What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55719254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).