[2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone

C26H28N4O — CID 3232750

IUPAC[2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1
InChIInChI=1S/C26H28N4O/c31-25(24-19-27-14-15-28-24)29-17-12-26(13-18-29)11-4-16-30(20-26)23-9-7-22(8-10-23)21-5-2-1-3-6-21/h1-3,5-10,14-15,19H,4,11-13,16-18,20H2
InChIKeyFIZXQXATBUPVQM-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.67
Rot. Bonds3

About [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone

[2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone (PubChem CID 3232750) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
PubChem CID3232750
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name[2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1
InChIInChI=1S/C26H28N4O/c31-25(24-19-27-14-15-28-24)29-17-12-26(13-18-29)11-4-16-30(20-26)23-9-7-22(8-10-23)21-5-2-1-3-6-21/h1-3,5-10,14-15,19H,4,11-13,16-18,20H2
InChIKeyFIZXQXATBUPVQM-UHFFFAOYSA-N
XLogP4.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone (CID 3232750) is [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1.
What is the InChIKey of [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The InChIKey is FIZXQXATBUPVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c31-25(24-19-27-14-15-28-24)29-17-12-26(13-18-29)11-4-16-30(20-26)23-9-7-22(8-10-23)21-5-2-1-3-6-21/h1-3,5-10,14-15,19H,4,11-13,16-18,20H2.
What are the key properties of [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
[2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone has a molecular weight of 412.54 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 3232750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).