2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone

C28H32ClN3O4 — CID 110080756

About 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone

2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 110080756) has the molecular formula C28H32ClN3O4 and a molecular weight of 510.03 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
• PubChem CID: 110080756
• Molecular Formula: C28H32ClN3O4
• Molecular Weight: 510.03 g/mol
• Exact Mass: 509.21
• IUPAC Name: 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
• SMILES: Cn1cc(C(=O)N2CCCC(COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c2ccccc21
• InChI: InChI=1S/C28H32ClN3O4/c1-30-18-24(23-5-2-3-6-25(23)30)27(34)32-12-4-11-28(19-32,17-26(33)31-13-15-35-16-14-31)20-36-22-9-7-21(29)8-10-22/h2-3,5-10,18H,4,11-17,19-20H2,1H3
• InChIKey: UIQJLCZUMFYILY-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 64.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.03
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone?

The IUPAC name of 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone (CID 110080756) is 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone.

What is the SMILES notation for 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone?

The canonical SMILES for 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone is Cn1cc(C(=O)N2CCCC(COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c2ccccc21.

What is the InChIKey of 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone?

The InChIKey is UIQJLCZUMFYILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O4/c1-30-18-24(23-5-2-3-6-25(23)30)27(34)32-12-4-11-28(19-32,17-26(33)31-13-15-35-16-14-31)20-36-22-9-7-21(29)8-10-22/h2-3,5-10,18H,4,11-17,19-20H2,1H3.

What are the key properties of 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone?

2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 510.03 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 110080756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).