2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone

C23H26N2O2 — CID 56926931

IUPAC2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1cccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c[nH]c12
InChIInChI=1S/C23H26N2O2/c1-27-22-9-5-8-19-20(15-24-23(19)22)21(26)16-25-12-10-18(11-13-25)14-17-6-3-2-4-7-17/h2-9,15,18,24H,10-14,16H2,1H3
InChIKeyMYFZFVQBSXPENG-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.31
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone

2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone (PubChem CID 56926931) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone
PubChem CID56926931
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1cccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c[nH]c12
InChIInChI=1S/C23H26N2O2/c1-27-22-9-5-8-19-20(15-24-23(19)22)21(26)16-25-12-10-18(11-13-25)14-17-6-3-2-4-7-17/h2-9,15,18,24H,10-14,16H2,1H3
InChIKeyMYFZFVQBSXPENG-UHFFFAOYSA-N
XLogP4.31
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone (CID 56926931) is 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone is COc1cccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c[nH]c12.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is MYFZFVQBSXPENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-27-22-9-5-8-19-20(15-24-23(19)22)21(26)16-25-12-10-18(11-13-25)14-17-6-3-2-4-7-17/h2-9,15,18,24H,10-14,16H2,1H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone?
2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 362.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 56926931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).