[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone

C26H28N4O — CID 3234612

IUPAC[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C26H28N4O/c31-25(23-18-27-14-15-28-23)30-16-7-12-26(20-30)13-17-29(19-26)24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,14-15,18,24H,7,12-13,16-17,19-20H2/t26-/m0/s1
InChIKeyMZPAIAIQWSLVAU-SANMLTNESA-N
MW412.54 g/mol
LogP4.19
Rot. Bonds4

About [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone

[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (PubChem CID 3234612) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
PubChem CID3234612
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C26H28N4O/c31-25(23-18-27-14-15-28-23)30-16-7-12-26(20-30)13-17-29(19-26)24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,14-15,18,24H,7,12-13,16-17,19-20H2/t26-/m0/s1
InChIKeyMZPAIAIQWSLVAU-SANMLTNESA-N
XLogP4.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (CID 3234612) is [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1.
What is the InChIKey of [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is MZPAIAIQWSLVAU-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N4O/c31-25(23-18-27-14-15-28-23)30-16-7-12-26(20-30)13-17-29(19-26)24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,14-15,18,24H,7,12-13,16-17,19-20H2/t26-/m0/s1.
What are the key properties of [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone has a molecular weight of 412.54 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 3234612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).