1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone

C32H35N5O3 — CID 69448007

IUPAC1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(C4=CN(c5ccncc5)NO4)CC3)c12
InChIInChI=1S/C32H35N5O3/c1-39-30-10-5-9-27-28(29(38)21-24-7-3-2-4-8-24)22-36(32(27)30)18-6-17-35-19-13-25(14-20-35)31-23-37(34-40-31)26-11-15-33-16-12-26/h2-5,7-12,15-16,22-23,25,34H,6,13-14,17-21H2,1H3
InChIKeyQPNASLVMKQJIQC-UHFFFAOYSA-N
MW537.66 g/mol
LogP5.37
Rot. Bonds10

About 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone

1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone (PubChem CID 69448007) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
PubChem CID69448007
Molecular FormulaC32H35N5O3
Molecular Weight537.66 g/mol
Exact Mass537.27
IUPAC Name1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(C4=CN(c5ccncc5)NO4)CC3)c12
InChIInChI=1S/C32H35N5O3/c1-39-30-10-5-9-27-28(29(38)21-24-7-3-2-4-8-24)22-36(32(27)30)18-6-17-35-19-13-25(14-20-35)31-23-37(34-40-31)26-11-15-33-16-12-26/h2-5,7-12,15-16,22-23,25,34H,6,13-14,17-21H2,1H3
InChIKeyQPNASLVMKQJIQC-UHFFFAOYSA-N
XLogP5.37
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
The IUPAC name of 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone (CID 69448007) is 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone is COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(C4=CN(c5ccncc5)NO4)CC3)c12.
What is the InChIKey of 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
The InChIKey is QPNASLVMKQJIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-39-30-10-5-9-27-28(29(38)21-24-7-3-2-4-8-24)22-36(32(27)30)18-6-17-35-19-13-25(14-20-35)31-23-37(34-40-31)26-11-15-33-16-12-26/h2-5,7-12,15-16,22-23,25,34H,6,13-14,17-21H2,1H3.
What are the key properties of 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone has a molecular weight of 537.66 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone is sourced from PubChem (CID 69448007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).