[(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone

C22H24N2O — CID 95709589

IUPAC[(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESO=C(N1CC(c2ccccn2)C1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C22H24N2O/c25-20(24-14-17(15-24)19-10-4-7-13-23-19)22(18-8-2-1-3-9-18)16-21(22)11-5-6-12-21/h1-4,7-10,13,17H,5-6,11-12,14-16H2/t22-/m1/s1
InChIKeyARGDRJHISJYBOT-JOCHJYFZSA-N
MW332.45 g/mol
LogP3.91
Rot. Bonds3

About [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone

[(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone (PubChem CID 95709589) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
PubChem CID95709589
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name[(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESO=C(N1CC(c2ccccn2)C1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C22H24N2O/c25-20(24-14-17(15-24)19-10-4-7-13-23-19)22(18-8-2-1-3-9-18)16-21(22)11-5-6-12-21/h1-4,7-10,13,17H,5-6,11-12,14-16H2/t22-/m1/s1
InChIKeyARGDRJHISJYBOT-JOCHJYFZSA-N
XLogP3.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone
CID 126449981
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423700
2-[1-[(2,2-diphenylcyclopropyl)methyl]azetidin-3-yl]pyridine
CID 56905810
N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
CID 125447718
(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 126433749
(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 151065309
(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110103059
2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one
CID 166375860
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The IUPAC name of [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone (CID 95709589) is [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The canonical SMILES for [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone is O=C(N1CC(c2ccccn2)C1)[C@]1(c2ccccc2)CC12CCCC2.
What is the InChIKey of [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The InChIKey is ARGDRJHISJYBOT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O/c25-20(24-14-17(15-24)19-10-4-7-13-23-19)22(18-8-2-1-3-9-18)16-21(22)11-5-6-12-21/h1-4,7-10,13,17H,5-6,11-12,14-16H2/t22-/m1/s1.
What are the key properties of [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
[(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone has a molecular weight of 332.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 95709589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).