2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one

C25H31N5O2 — CID 58334992

IUPAC2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(C1CCN(Cc2ccnnc2)CC1)N1CCC2(CC1)CCN(c1ccccc1)C2=O
InChIInChI=1S/C25H31N5O2/c31-23(21-7-13-28(14-8-21)19-20-6-12-26-27-18-20)29-15-9-25(10-16-29)11-17-30(24(25)32)22-4-2-1-3-5-22/h1-6,12,18,21H,7-11,13-17,19H2
InChIKeyAGYSQJAENSLYTG-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.73
Rot. Bonds4

About 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one

2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 58334992) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID58334992
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(C1CCN(Cc2ccnnc2)CC1)N1CCC2(CC1)CCN(c1ccccc1)C2=O
InChIInChI=1S/C25H31N5O2/c31-23(21-7-13-28(14-8-21)19-20-6-12-26-27-18-20)29-15-9-25(10-16-29)11-17-30(24(25)32)22-4-2-1-3-5-22/h1-6,12,18,21H,7-11,13-17,19H2
InChIKeyAGYSQJAENSLYTG-UHFFFAOYSA-N
XLogP2.73
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one (CID 58334992) is 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one is O=C(C1CCN(Cc2ccnnc2)CC1)N1CCC2(CC1)CCN(c1ccccc1)C2=O.
What is the InChIKey of 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is AGYSQJAENSLYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-23(21-7-13-28(14-8-21)19-20-6-12-26-27-18-20)29-15-9-25(10-16-29)11-17-30(24(25)32)22-4-2-1-3-5-22/h1-6,12,18,21H,7-11,13-17,19H2.
What are the key properties of 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one?
2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 433.56 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58334992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).