2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one

C23H28N4O2 — CID 72899768

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCC2=O)CCN(C(=O)Cc2ccccc2)CC3)cn1
InChIInChI=1S/C23H28N4O2/c1-18-14-25-20(15-24-18)16-27-17-23(8-7-21(27)28)9-11-26(12-10-23)22(29)13-19-5-3-2-4-6-19/h2-6,14-15H,7-13,16-17H2,1H3
InChIKeyPGIYSXRMMVPIPJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.76
Rot. Bonds4

About 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one

2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72899768) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72899768
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCC2=O)CCN(C(=O)Cc2ccccc2)CC3)cn1
InChIInChI=1S/C23H28N4O2/c1-18-14-25-20(15-24-18)16-27-17-23(8-7-21(27)28)9-11-26(12-10-23)22(29)13-19-5-3-2-4-6-19/h2-6,14-15H,7-13,16-17H2,1H3
InChIKeyPGIYSXRMMVPIPJ-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72899768) is 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)Cc2ccccc2)CC3)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PGIYSXRMMVPIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18-14-25-20(15-24-18)16-27-17-23(8-7-21(27)28)9-11-26(12-10-23)22(29)13-19-5-3-2-4-6-19/h2-6,14-15H,7-13,16-17H2,1H3.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 392.50 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72899768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).