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

C32H33N5O3 — CID 58968261

IUPAC1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12
InChIInChI=1S/C32H33N5O3/c1-39-29-12-5-11-26-27(28(38)20-23-8-3-2-4-9-23)22-37(30(26)29)17-7-16-36-18-13-24(14-19-36)32-34-31(35-40-32)25-10-6-15-33-21-25/h2-6,8-12,15,21-22,24H,7,13-14,16-20H2,1H3
InChIKeyZDNLFKJWVVNYHV-UHFFFAOYSA-N
MW535.65 g/mol
LogP5.79
Rot. Bonds10

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

1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone (PubChem CID 58968261) 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-3-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-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
PubChem CID58968261
Molecular FormulaC32H33N5O3
Molecular Weight535.65 g/mol
Exact Mass535.26
IUPAC Name1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12
InChIInChI=1S/C32H33N5O3/c1-39-29-12-5-11-26-27(28(38)20-23-8-3-2-4-9-23)22-37(30(26)29)17-7-16-36-18-13-24(14-19-36)32-34-31(35-40-32)25-10-6-15-33-21-25/h2-6,8-12,15,21-22,24H,7,13-14,16-20H2,1H3
InChIKeyZDNLFKJWVVNYHV-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-3-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-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone (CID 58968261) is 1-[7-methoxy-1-[3-[4-(3-pyridin-3-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-3-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-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone is COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.
What is the InChIKey of 1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
The InChIKey is ZDNLFKJWVVNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3/c1-39-29-12-5-11-26-27(28(38)20-23-8-3-2-4-9-23)22-37(30(26)29)17-7-16-36-18-13-24(14-19-36)32-34-31(35-40-32)25-10-6-15-33-21-25/h2-6,8-12,15,21-22,24H,7,13-14,16-20H2,1H3.
What are the key properties of 1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
1-[7-methoxy-1-[3-[4-(3-pyridin-3-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-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone is sourced from PubChem (CID 58968261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).