3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one

C26H32N2O — CID 110093446

IUPAC3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one
SMILESO=C1N(CCc2ccccc2)CC=CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C26H32N2O/c29-25-26(15-7-8-18-28(25)20-14-24-11-5-2-6-12-24)16-21-27(22-17-26)19-13-23-9-3-1-4-10-23/h1-12H,13-22H2
InChIKeyXCXKYKUQABZGKZ-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.34
Rot. Bonds6

About 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one

3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one (PubChem CID 110093446) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one.

Molecular Properties

Compound Name3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one
PubChem CID110093446
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one
SMILESO=C1N(CCc2ccccc2)CC=CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C26H32N2O/c29-25-26(15-7-8-18-28(25)20-14-24-11-5-2-6-12-24)16-21-27(22-17-26)19-13-23-9-3-1-4-10-23/h1-12H,13-22H2
InChIKeyXCXKYKUQABZGKZ-UHFFFAOYSA-N
XLogP4.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3,8-diazaspiro[5.6]dodec-10-en-7-one
CID 110093470
N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide
CID 124941899
3-[[3-(4-fluorophenyl)phenyl]methyl]-8-(2-methoxyethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one
CID 129361127
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
3-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-8-(2-methoxyethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one
CID 110093485
1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 26336960
8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 91578541
4-phenyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 155872026
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one?
The IUPAC name of 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one (CID 110093446) is 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one.
What is the SMILES notation for 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one?
The canonical SMILES for 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one is O=C1N(CCc2ccccc2)CC=CCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one?
The InChIKey is XCXKYKUQABZGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c29-25-26(15-7-8-18-28(25)20-14-24-11-5-2-6-12-24)16-21-27(22-17-26)19-13-23-9-3-1-4-10-23/h1-12H,13-22H2.
What are the key properties of 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one?
3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one has a molecular weight of 388.56 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-7-one is sourced from PubChem (CID 110093446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).