2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone

C29H33N5O2 — CID 172630206

IUPAC2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone
SMILESO=C(N1CCCC2(CNC2)C1)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C29H33N5O2/c35-26-10-5-4-9-24(26)25-17-23(18-31-32-25)33-15-12-29(13-16-33,22-7-2-1-3-8-22)27(36)34-14-6-11-28(21-34)19-30-20-28/h1-5,7-10,17-18,30,35H,6,11-16,19-21H2
InChIKeyODTKEGJXSVMRCZ-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.60
Rot. Bonds4

About 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone

2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone (PubChem CID 172630206) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone
PubChem CID172630206
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone
SMILESO=C(N1CCCC2(CNC2)C1)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C29H33N5O2/c35-26-10-5-4-9-24(26)25-17-23(18-31-32-25)33-15-12-29(13-16-33,22-7-2-1-3-8-22)27(36)34-14-6-11-28(21-34)19-30-20-28/h1-5,7-10,17-18,30,35H,6,11-16,19-21H2
InChIKeyODTKEGJXSVMRCZ-UHFFFAOYSA-N
XLogP3.60
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone?
The IUPAC name of 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone (CID 172630206) is 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone.
What is the SMILES notation for 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone?
The canonical SMILES for 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone is O=C(N1CCCC2(CNC2)C1)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1.
What is the InChIKey of 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone?
The InChIKey is ODTKEGJXSVMRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c35-26-10-5-4-9-24(26)25-17-23(18-31-32-25)33-15-12-29(13-16-33,22-7-2-1-3-8-22)27(36)34-14-6-11-28(21-34)19-30-20-28/h1-5,7-10,17-18,30,35H,6,11-16,19-21H2.
What are the key properties of 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone?
2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone has a molecular weight of 483.62 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.5]nonan-6-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone is sourced from PubChem (CID 172630206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).