2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

C24H35N3O3 — CID 45240357

About 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 45240357) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 45240357
• Molecular Formula: C24H35N3O3
• Molecular Weight: 413.56 g/mol
• Exact Mass: 413.27
• IUPAC Name: 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
• SMILES: CC(=O)NCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)CC1CCCO1
• InChI: InChI=1S/C24H35N3O3/c1-18(28)25-15-24(29)27(17-23-7-4-12-30-23)16-19-8-10-26(11-9-19)22-13-20-5-2-3-6-21(20)14-22/h2-3,5-6,19,22-23H,4,7-17H2,1H3,(H,25,28)
• InChIKey: QCBGACGWHHRSSP-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.56
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?

The IUPAC name of 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 45240357) is 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?

The canonical SMILES for 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide is CC(=O)NCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)CC1CCCO1.

What is the InChIKey of 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?

The InChIKey is QCBGACGWHHRSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-18(28)25-15-24(29)27(17-23-7-4-12-30-23)16-19-8-10-26(11-9-19)22-13-20-5-2-3-6-21(20)14-22/h2-3,5-6,19,22-23H,4,7-17H2,1H3,(H,25,28).

What are the key properties of 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?

2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 413.56 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 45240357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).