1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide

C22H29N5O3S — CID 22513519

About 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide

1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 22513519) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 22513519
• Molecular Formula: C22H29N5O3S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.20
• IUPAC Name: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide
• SMILES: CCCOc1ccc(CNC(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1
• InChI: InChI=1S/C22H29N5O3S/c1-2-13-30-18-9-7-16(8-10-18)14-23-20(29)17-5-3-11-26(15-17)21-24-25-22(31-21)27-12-4-6-19(27)28/h7-10,17H,2-6,11-15H2,1H3,(H,23,29)
• InChIKey: GQBDUYGKHFJKFY-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide (CID 22513519) is 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide is CCCOc1ccc(CNC(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1.

What is the InChIKey of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is GQBDUYGKHFJKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-2-13-30-18-9-7-16(8-10-18)14-23-20(29)17-5-3-11-26(15-17)21-24-25-22(31-21)27-12-4-6-19(27)28/h7-10,17H,2-6,11-15H2,1H3,(H,23,29).

What are the key properties of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide?

1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 22513519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).