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

C19H22N4O — CID 3232990

IUPAC[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C19H22N4O/c24-18(17-13-20-9-10-21-17)23-11-4-7-19(15-23)8-12-22(14-19)16-5-2-1-3-6-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2/t19-/m0/s1
InChIKeyDBUVJNNGTSWEQJ-IBGZPJMESA-N
MW322.41 g/mol
LogP2.61
Rot. Bonds2

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

[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (PubChem CID 3232990) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
PubChem CID3232990
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C19H22N4O/c24-18(17-13-20-9-10-21-17)23-11-4-7-19(15-23)8-12-22(14-19)16-5-2-1-3-6-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2/t19-/m0/s1
InChIKeyDBUVJNNGTSWEQJ-IBGZPJMESA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (CID 3232990) is [(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1.
What is the InChIKey of [(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is DBUVJNNGTSWEQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N4O/c24-18(17-13-20-9-10-21-17)23-11-4-7-19(15-23)8-12-22(14-19)16-5-2-1-3-6-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2/t19-/m0/s1.
What are the key properties of [(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 3232990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).