2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide

C23H34ClN3O3 — CID 124956229

About 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide

2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide (PubChem CID 124956229) has the molecular formula C23H34ClN3O3 and a molecular weight of 436.00 g/mol. Its IUPAC name is 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide
• PubChem CID: 124956229
• Molecular Formula: C23H34ClN3O3
• Molecular Weight: 436.00 g/mol
• Exact Mass: 435.23
• IUPAC Name: 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide
• SMILES: CC(C)N1CCC(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1
• InChI: InChI=1S/C23H34ClN3O3/c1-17(2)26-11-7-18(8-12-26)22(29)27-10-4-9-23(15-27,14-21(25)28)16-30-20-6-3-5-19(24)13-20/h3,5-6,13,17-18H,4,7-12,14-16H2,1-2H3,(H2,25,28)/t23-/m1/s1
• InChIKey: FQAFDZJFXWXKHQ-HSZRJFAPSA-N
• XLogP: 3.32
• TPSA: 75.87 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	436.00
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide?

The IUPAC name of 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide (CID 124956229) is 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide.

What is the SMILES notation for 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide?

The canonical SMILES for 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide is CC(C)N1CCC(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1.

What is the InChIKey of 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide?

The InChIKey is FQAFDZJFXWXKHQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H34ClN3O3/c1-17(2)26-11-7-18(8-12-26)22(29)27-10-4-9-23(15-27,14-21(25)28)16-30-20-6-3-5-19(24)13-20/h3,5-6,13,17-18H,4,7-12,14-16H2,1-2H3,(H2,25,28)/t23-/m1/s1.

What are the key properties of 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide?

2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 436.00 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 124956229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).