1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one

C25H30N2O2 — CID 85458363

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C25H30N2O2/c1-17-14-18(2)16-27(15-17)24(28)13-12-22-21-6-4-5-7-23(21)26-25(22)19-8-10-20(29-3)11-9-19/h4-11,17-18,26H,12-16H2,1-3H3
InChIKeyBVXVTSGJWHKYRN-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.28
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one

1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one (PubChem CID 85458363) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
PubChem CID85458363
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C25H30N2O2/c1-17-14-18(2)16-27(15-17)24(28)13-12-22-21-6-4-5-7-23(21)26-25(22)19-8-10-20(29-3)11-9-19/h4-11,17-18,26H,12-16H2,1-3H3
InChIKeyBVXVTSGJWHKYRN-UHFFFAOYSA-N
XLogP5.28
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one (CID 85458363) is 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one?
The InChIKey is BVXVTSGJWHKYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-17-14-18(2)16-27(15-17)24(28)13-12-22-21-6-4-5-7-23(21)26-25(22)19-8-10-20(29-3)11-9-19/h4-11,17-18,26H,12-16H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one has a molecular weight of 390.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one is sourced from PubChem (CID 85458363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).