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

C21H34N6O2S — CID 126459192

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

N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 126459192) has the molecular formula C21H34N6O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 126459192
• Molecular Formula: C21H34N6O2S
• Molecular Weight: 434.61 g/mol
• Exact Mass: 434.25
• IUPAC Name: N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: CC1CCCCN1CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1
• InChI: InChI=1S/C21H34N6O2S/c1-16-6-2-3-11-25(16)12-5-10-22-19(29)17-8-14-26(15-9-17)20-23-24-21(30-20)27-13-4-7-18(27)28/h16-17H,2-15H2,1H3,(H,22,29)
• InChIKey: IIDTYYVSZZUSOI-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 81.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.61
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 126459192) is N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CC1CCCCN1CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1.

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

The InChIKey is IIDTYYVSZZUSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O2S/c1-16-6-2-3-11-25(16)12-5-10-22-19(29)17-8-14-26(15-9-17)20-23-24-21(30-20)27-13-4-7-18(27)28/h16-17H,2-15H2,1H3,(H,22,29).

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

N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 126459192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).