1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone

C26H34N2O — CID 142519887

IUPAC1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone
SMILESC[C@@]12CC3CC4(C(=O)N5CCC6(CCCN6)CC5)C[C@](c5ccccc5)(C1)[C@]32C4
InChIInChI=1S/C26H34N2O/c1-22-14-20-15-23(21(29)28-12-9-24(10-13-28)8-5-11-27-24)17-25(16-22,26(20,22)18-23)19-6-3-2-4-7-19/h2-4,6-7,20,27H,5,8-18H2,1H3/t20?,22-,23?,25+,26-/m1/s1
InChIKeyFBEMJZVADPDUIT-SUBLJDFBSA-N
MW390.57 g/mol
LogP4.27
Rot. Bonds2

About 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone

1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone (PubChem CID 142519887) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone.

Molecular Properties

Compound Name1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone
PubChem CID142519887
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone
SMILESC[C@@]12CC3CC4(C(=O)N5CCC6(CCCN6)CC5)C[C@](c5ccccc5)(C1)[C@]32C4
InChIInChI=1S/C26H34N2O/c1-22-14-20-15-23(21(29)28-12-9-24(10-13-28)8-5-11-27-24)17-25(16-22,26(20,22)18-23)19-6-3-2-4-7-19/h2-4,6-7,20,27H,5,8-18H2,1H3/t20?,22-,23?,25+,26-/m1/s1
InChIKeyFBEMJZVADPDUIT-SUBLJDFBSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone with MolForge

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Related Compounds

3,9-diazaspiro[5.5]undecan-3-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone
CID 137436324
2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone
CID 162525952
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone
CID 130269979
1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone
CID 138702406
[(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone
CID 142519838
(3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl)-pyrrolidin-1-ylmethanone
CID 142519925
1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone
CID 121451700
(3,3-dimethyl-1,4-diazepan-1-yl)-(1-phenylcyclopropyl)methanone
CID 82247724
(4-aminoazepan-1-yl)-(3-methyl-5-phenyl-1-adamantyl)methanone
CID 142519878
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 107220719
3-phenyl-5-(pyrrolidine-1-carbonyl)adamantane-1-carboxylic acid
CID 130247690

Frequently Asked Questions

What is the IUPAC name of 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone?
The IUPAC name of 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone (CID 142519887) is 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone.
What is the SMILES notation for 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone?
The canonical SMILES for 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone is C[C@@]12CC3CC4(C(=O)N5CCC6(CCCN6)CC5)C[C@](c5ccccc5)(C1)[C@]32C4.
What is the InChIKey of 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone?
The InChIKey is FBEMJZVADPDUIT-SUBLJDFBSA-N. The full InChI is InChI=1S/C26H34N2O/c1-22-14-20-15-23(21(29)28-12-9-24(10-13-28)8-5-11-27-24)17-25(16-22,26(20,22)18-23)19-6-3-2-4-7-19/h2-4,6-7,20,27H,5,8-18H2,1H3/t20?,22-,23?,25+,26-/m1/s1.
What are the key properties of 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone?
1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone has a molecular weight of 390.57 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[4.5]decan-8-yl-[(3S,5R,8R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone is sourced from PubChem (CID 142519887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).