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

C34H40N2O2 — CID 143503023

IUPAC[1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
SMILESCCC1CC(CCc2ccccc2)CCN1CCCn1cc(C(=O)c2ccccc2)c2cccc(OC)c21
InChIInChI=1S/C34H40N2O2/c1-3-29-24-27(19-18-26-12-6-4-7-13-26)20-23-35(29)21-11-22-36-25-31(34(37)28-14-8-5-9-15-28)30-16-10-17-32(38-2)33(30)36/h4-10,12-17,25,27,29H,3,11,18-24H2,1-2H3
InChIKeyBSZOAWZVNMHFPM-UHFFFAOYSA-N
MW508.71 g/mol
LogP7.39
Rot. Bonds11

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

[1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (PubChem CID 143503023) has the molecular formula C34H40N2O2 and a molecular weight of 508.71 g/mol. Its IUPAC name is [1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
PubChem CID143503023
Molecular FormulaC34H40N2O2
Molecular Weight508.71 g/mol
Exact Mass508.31
IUPAC Name[1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
SMILESCCC1CC(CCc2ccccc2)CCN1CCCn1cc(C(=O)c2ccccc2)c2cccc(OC)c21
InChIInChI=1S/C34H40N2O2/c1-3-29-24-27(19-18-26-12-6-4-7-13-26)20-23-35(29)21-11-22-36-25-31(34(37)28-14-8-5-9-15-28)30-16-10-17-32(38-2)33(30)36/h4-10,12-17,25,27,29H,3,11,18-24H2,1-2H3
InChIKeyBSZOAWZVNMHFPM-UHFFFAOYSA-N
XLogP7.39
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Win 55212-2
CID 5311501
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
Jwh 081
CID 10547208
Jwh 302
CID 11493740
Jwh 250
CID 44397540
(5-Methyl-3-(morpholinomethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indol-6-yl)(naphthalen-1-yl)methanone
CID 5689
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
SR-18
CID 53394099
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
5-fluoro-PB-22
CID 72710774
Unii-1U7V49ntqg
CID 10091392

Frequently Asked Questions

What is the IUPAC name of [1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The IUPAC name of [1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (CID 143503023) is [1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is CCC1CC(CCc2ccccc2)CCN1CCCn1cc(C(=O)c2ccccc2)c2cccc(OC)c21.
What is the InChIKey of [1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The InChIKey is BSZOAWZVNMHFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O2/c1-3-29-24-27(19-18-26-12-6-4-7-13-26)20-23-35(29)21-11-22-36-25-31(34(37)28-14-8-5-9-15-28)30-16-10-17-32(38-2)33(30)36/h4-10,12-17,25,27,29H,3,11,18-24H2,1-2H3.
What are the key properties of [1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
[1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone has a molecular weight of 508.71 g/mol, XLogP of 7.39, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is sourced from PubChem (CID 143503023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).