1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone

C23H34N2O2 — CID 155498928

About 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone

1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 155498928) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone
• PubChem CID: 155498928
• Molecular Formula: C23H34N2O2
• Molecular Weight: 370.54 g/mol
• Exact Mass: 370.26
• IUPAC Name: 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone
• SMILES: COc1cc2c(cc1CN1CCC(C3CCN(C(C)=O)CC3)CC1)CCC2
• InChI: InChI=1S/C23H34N2O2/c1-17(26)25-12-8-19(9-13-25)18-6-10-24(11-7-18)16-22-14-20-4-3-5-21(20)15-23(22)27-2/h14-15,18-19H,3-13,16H2,1-2H3
• InChIKey: YTDDCBHKECFTAX-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.54
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone (CID 155498928) is 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone is COc1cc2c(cc1CN1CCC(C3CCN(C(C)=O)CC3)CC1)CCC2.

What is the InChIKey of 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone?

The InChIKey is YTDDCBHKECFTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-17(26)25-12-8-19(9-13-25)18-6-10-24(11-7-18)16-22-14-20-4-3-5-21(20)15-23(22)27-2/h14-15,18-19H,3-13,16H2,1-2H3.

What are the key properties of 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone?

1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 370.54 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155498928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).