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

C31H32N2O3 — CID 58967718

IUPAC[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C31H32N2O3/c1-36-28-15-8-14-26-27(31(35)24-12-6-3-7-13-24)22-33(29(26)28)19-9-18-32-20-16-25(17-21-32)30(34)23-10-4-2-5-11-23/h2-8,10-15,22,25H,9,16-21H2,1H3
InChIKeyDDTQACRRPWWRHH-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.87
Rot. Bonds9

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

[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone (PubChem CID 58967718) has the molecular formula C31H32N2O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is [1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone
PubChem CID58967718
Molecular FormulaC31H32N2O3
Molecular Weight480.61 g/mol
Exact Mass480.24
IUPAC Name[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C31H32N2O3/c1-36-28-15-8-14-26-27(31(35)24-12-6-3-7-13-24)22-33(29(26)28)19-9-18-32-20-16-25(17-21-32)30(34)23-10-4-2-5-11-23/h2-8,10-15,22,25H,9,16-21H2,1H3
InChIKeyDDTQACRRPWWRHH-UHFFFAOYSA-N
XLogP5.87
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone (CID 58967718) is [1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone is COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12.
What is the InChIKey of [1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is DDTQACRRPWWRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3/c1-36-28-15-8-14-26-27(31(35)24-12-6-3-7-13-24)22-33(29(26)28)19-9-18-32-20-16-25(17-21-32)30(34)23-10-4-2-5-11-23/h2-8,10-15,22,25H,9,16-21H2,1H3.
What are the key properties of [1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone?
[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 480.61 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 58967718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).