(4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone

C29H30N4O2 — CID 68556681

IUPAC(4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C29H30N4O2/c34-28(33-18-13-24(14-19-33)35-23-7-2-1-3-8-23)26-10-11-27(31-30-26)32-20-16-29(17-21-32)15-12-22-6-4-5-9-25(22)29/h1-12,15,24H,13-14,16-21H2
InChIKeyBCNZXVCIEPJVKZ-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.73
Rot. Bonds4

About (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone

(4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone (PubChem CID 68556681) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone
PubChem CID68556681
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name(4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C29H30N4O2/c34-28(33-18-13-24(14-19-33)35-23-7-2-1-3-8-23)26-10-11-27(31-30-26)32-20-16-29(17-21-32)15-12-22-6-4-5-9-25(22)29/h1-12,15,24H,13-14,16-21H2
InChIKeyBCNZXVCIEPJVKZ-UHFFFAOYSA-N
XLogP4.73
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone?
The IUPAC name of (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone (CID 68556681) is (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone.
What is the SMILES notation for (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone?
The canonical SMILES for (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone?
The InChIKey is BCNZXVCIEPJVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c34-28(33-18-13-24(14-19-33)35-23-7-2-1-3-8-23)26-10-11-27(31-30-26)32-20-16-29(17-21-32)15-12-22-6-4-5-9-25(22)29/h1-12,15,24H,13-14,16-21H2.
What are the key properties of (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone?
(4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone has a molecular weight of 466.59 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 68556681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).