2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone

C28H31N5O2 — CID 172630727

IUPAC2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone
SMILESO=C(N1CC2(CCNC2)C1)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C28H31N5O2/c34-25-9-5-4-8-23(25)24-16-22(17-30-31-24)32-14-11-28(12-15-32,21-6-2-1-3-7-21)26(35)33-19-27(20-33)10-13-29-18-27/h1-9,16-17,29,34H,10-15,18-20H2
InChIKeyHXMDOSXBILBQIY-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.21
Rot. Bonds4

About 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone

2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone (PubChem CID 172630727) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone
PubChem CID172630727
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone
SMILESO=C(N1CC2(CCNC2)C1)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C28H31N5O2/c34-25-9-5-4-8-23(25)24-16-22(17-30-31-24)32-14-11-28(12-15-32,21-6-2-1-3-7-21)26(35)33-19-27(20-33)10-13-29-18-27/h1-9,16-17,29,34H,10-15,18-20H2
InChIKeyHXMDOSXBILBQIY-UHFFFAOYSA-N
XLogP3.21
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone with MolForge

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Related Compounds

methyl 1-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]-4-methylpiperidine-4-carboxylate
CID 172630372
3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone
CID 172630663
[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 172630442
(3R)-3-[6-[4-fluoro-4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 172630151
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
CID 82038165
4-benzyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxylic acid
CID 172630523
1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid
CID 172630146
(3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630688
(3R)-3-[4-[4-[[4-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]-5-methyl-1,4-diazepan-1-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630360
N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide
CID 172630488
(3R)-3-[4-[4-[[1-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630693
methyl 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(2-methylphenoxy)piperidine-4-carboxylate
CID 172630846

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone?
The IUPAC name of 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone (CID 172630727) is 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone.
What is the SMILES notation for 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone?
The canonical SMILES for 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone is O=C(N1CC2(CCNC2)C1)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1.
What is the InChIKey of 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone?
The InChIKey is HXMDOSXBILBQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c34-25-9-5-4-8-23(25)24-16-22(17-30-31-24)32-14-11-28(12-15-32,21-6-2-1-3-7-21)26(35)33-19-27(20-33)10-13-29-18-27/h1-9,16-17,29,34H,10-15,18-20H2.
What are the key properties of 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone?
2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone has a molecular weight of 469.59 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone is sourced from PubChem (CID 172630727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).