[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone

C21H26N4O2 — CID 97483411

IUPAC[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C21H26N4O2/c26-20(18-7-10-22-23-15-18)25-12-9-21(17-25)8-4-11-24(16-21)13-14-27-19-5-2-1-3-6-19/h1-3,5-7,10,15H,4,8-9,11-14,16-17H2/t21-/m1/s1
InChIKeyKFGMWGQAQPNWRK-OAQYLSRUSA-N
MW366.46 g/mol
LogP2.48
Rot. Bonds5

About [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone

[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone (PubChem CID 97483411) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
PubChem CID97483411
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C21H26N4O2/c26-20(18-7-10-22-23-15-18)25-12-9-21(17-25)8-4-11-24(16-21)13-14-27-19-5-2-1-3-6-19/h1-3,5-7,10,15H,4,8-9,11-14,16-17H2/t21-/m1/s1
InChIKeyKFGMWGQAQPNWRK-OAQYLSRUSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone with MolForge

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Related Compounds

(6-methyl-3-pyridinyl)-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649232
3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 131655214
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131662022
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
9-(2-phenoxyethyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155827464
(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685
isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 56892672
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896690
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206

Frequently Asked Questions

What is the IUPAC name of [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone (CID 97483411) is [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1.
What is the InChIKey of [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone?
The InChIKey is KFGMWGQAQPNWRK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20(18-7-10-22-23-15-18)25-12-9-21(17-25)8-4-11-24(16-21)13-14-27-19-5-2-1-3-6-19/h1-3,5-7,10,15H,4,8-9,11-14,16-17H2/t21-/m1/s1.
What are the key properties of [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone?
[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone has a molecular weight of 366.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97483411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).