(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C22H28N4O — CID 45199217

IUPAC(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1cnc(C(=O)N2CCC3(CCCN(CCc4ccccc4)C3)C2)cn1
InChIInChI=1S/C22H28N4O/c1-18-14-24-20(15-23-18)21(27)26-13-10-22(17-26)9-5-11-25(16-22)12-8-19-6-3-2-4-7-19/h2-4,6-7,14-15H,5,8-13,16-17H2,1H3
InChIKeyDXLQUPMGTLOERU-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.96
Rot. Bonds4

About (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 45199217) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID45199217
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1cnc(C(=O)N2CCC3(CCCN(CCc4ccccc4)C3)C2)cn1
InChIInChI=1S/C22H28N4O/c1-18-14-24-20(15-23-18)21(27)26-13-10-22(17-26)9-5-11-25(16-22)12-8-19-6-3-2-4-7-19/h2-4,6-7,14-15H,5,8-13,16-17H2,1H3
InChIKeyDXLQUPMGTLOERU-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone with MolForge

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Related Compounds

(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 42341584
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
2-azaspiro[4.5]decan-2-yl-(5-methylpyrazin-2-yl)methanone
CID 71999151
(E)-1-[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 25278228
(6-methyl-3-pyridinyl)-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649232
2-methyl-3-[(5S)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 126423708
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72848388
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 45199217) is (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is Cc1cnc(C(=O)N2CCC3(CCCN(CCc4ccccc4)C3)C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is DXLQUPMGTLOERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-18-14-24-20(15-23-18)21(27)26-13-10-22(17-26)9-5-11-25(16-22)12-8-19-6-3-2-4-7-19/h2-4,6-7,14-15H,5,8-13,16-17H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 45199217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).