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

C32H33N5O3 — CID 58968003

IUPAC1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12
InChIInChI=1S/C32H33N5O3/c1-39-29-10-5-9-26-27(28(38)21-23-7-3-2-4-8-23)22-37(30(26)29)18-6-17-36-19-13-25(14-20-36)32-34-31(35-40-32)24-11-15-33-16-12-24/h2-5,7-12,15-16,22,25H,6,13-14,17-21H2,1H3
InChIKeyLAZSYRXNCGWVPA-UHFFFAOYSA-N
MW535.65 g/mol
LogP5.79
Rot. Bonds10

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

1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone (PubChem CID 58968003) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-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-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
PubChem CID58968003
Molecular FormulaC32H33N5O3
Molecular Weight535.65 g/mol
Exact Mass535.26
IUPAC Name1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12
InChIInChI=1S/C32H33N5O3/c1-39-29-10-5-9-26-27(28(38)21-23-7-3-2-4-8-23)22-37(30(26)29)18-6-17-36-19-13-25(14-20-36)32-34-31(35-40-32)24-11-15-33-16-12-24/h2-5,7-12,15-16,22,25H,6,13-14,17-21H2,1H3
InChIKeyLAZSYRXNCGWVPA-UHFFFAOYSA-N
XLogP5.79
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 55.79
H-Bond Donors ≤ 50
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-1,2,4-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-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone (CID 58968003) is 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-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-1,2,4-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-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone is COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.
What is the InChIKey of 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
The InChIKey is LAZSYRXNCGWVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3/c1-39-29-10-5-9-26-27(28(38)21-23-7-3-2-4-8-23)22-37(30(26)29)18-6-17-36-19-13-25(14-20-36)32-34-31(35-40-32)24-11-15-33-16-12-24/h2-5,7-12,15-16,22,25H,6,13-14,17-21H2,1H3.
What are the key properties of 1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone has a molecular weight of 535.65 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 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-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone is sourced from PubChem (CID 58968003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).