[1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone

C32H36N2O2 — CID 71175586

IUPAC[1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
SMILESCCc1ccccc1C1CCN(CCCn2cc(C(=O)c3ccccc3)c3cccc(OC)c32)CC1
InChIInChI=1S/C32H36N2O2/c1-3-24-11-7-8-14-27(24)25-17-21-33(22-18-25)19-10-20-34-23-29(32(35)26-12-5-4-6-13-26)28-15-9-16-30(36-2)31(28)34/h4-9,11-16,23,25H,3,10,17-22H2,1-2H3
InChIKeyPVWIYYINSYPVNZ-UHFFFAOYSA-N
MW480.65 g/mol
LogP6.71
Rot. Bonds9

About [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone

[1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (PubChem CID 71175586) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
PubChem CID71175586
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name[1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
SMILESCCc1ccccc1C1CCN(CCCn2cc(C(=O)c3ccccc3)c3cccc(OC)c32)CC1
InChIInChI=1S/C32H36N2O2/c1-3-24-11-7-8-14-27(24)25-17-21-33(22-18-25)19-10-20-34-23-29(32(35)26-12-5-4-6-13-26)28-15-9-16-30(36-2)31(28)34/h4-9,11-16,23,25H,3,10,17-22H2,1-2H3
InChIKeyPVWIYYINSYPVNZ-UHFFFAOYSA-N
XLogP6.71
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The IUPAC name of [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (CID 71175586) is [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is CCc1ccccc1C1CCN(CCCn2cc(C(=O)c3ccccc3)c3cccc(OC)c32)CC1.
What is the InChIKey of [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The InChIKey is PVWIYYINSYPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-3-24-11-7-8-14-27(24)25-17-21-33(22-18-25)19-10-20-34-23-29(32(35)26-12-5-4-6-13-26)28-15-9-16-30(36-2)31(28)34/h4-9,11-16,23,25H,3,10,17-22H2,1-2H3.
What are the key properties of [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
[1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone has a molecular weight of 480.65 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-(2-ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is sourced from PubChem (CID 71175586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).