2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

C21H31N3O3 — CID 56502136

About 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 56502136) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
• PubChem CID: 56502136
• Molecular Formula: C21H31N3O3
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.24
• IUPAC Name: 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
• SMILES: O=C(CN1CCCCC1C1OCCO1)NCC1CCN(c2ccccc2)C1
• InChI: InChI=1S/C21H31N3O3/c25-20(16-24-10-5-4-8-19(24)21-26-12-13-27-21)22-14-17-9-11-23(15-17)18-6-2-1-3-7-18/h1-3,6-7,17,19,21H,4-5,8-16H2,(H,22,25)
• InChIKey: WDTSTYPDZXQURZ-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?

The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (CID 56502136) is 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.

What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?

The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is O=C(CN1CCCCC1C1OCCO1)NCC1CCN(c2ccccc2)C1.

What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?

The InChIKey is WDTSTYPDZXQURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-20(16-24-10-5-4-8-19(24)21-26-12-13-27-21)22-14-17-9-11-23(15-17)18-6-2-1-3-7-18/h1-3,6-7,17,19,21H,4-5,8-16H2,(H,22,25).

What are the key properties of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 56502136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).