(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C19H20N4O2 — CID 97452785

IUPAC(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccnnc1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1
InChIInChI=1S/C19H20N4O2/c24-17(15-6-9-21-22-12-15)23-10-7-19(8-11-23)16(13-20-18(19)25)14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13H2,(H,20,25)/t16-/m1/s1
InChIKeyPWBUVJZUUGGBIN-MRXNPFEDSA-N
MW336.39 g/mol
LogP1.61
Rot. Bonds2

About (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97452785) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97452785
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccnnc1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1
InChIInChI=1S/C19H20N4O2/c24-17(15-6-9-21-22-12-15)23-10-7-19(8-11-23)16(13-20-18(19)25)14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13H2,(H,20,25)/t16-/m1/s1
InChIKeyPWBUVJZUUGGBIN-MRXNPFEDSA-N
XLogP1.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97452785) is (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is O=C(c1ccnnc1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1.
What is the InChIKey of (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PWBUVJZUUGGBIN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17(15-6-9-21-22-12-15)23-10-7-19(8-11-23)16(13-20-18(19)25)14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13H2,(H,20,25)/t16-/m1/s1.
What are the key properties of (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 336.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97452785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).