2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N4O2 — CID 72864737

IUPAC2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nccnc1CN1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c1-15-17(21-8-7-20-15)13-22-10-6-19(14-22)5-2-9-23(18(19)24)16-3-11-25-12-4-16/h7-8,16H,2-6,9-14H2,1H3
InChIKeyRQMYAPRKILRYLK-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.78
Rot. Bonds3

About 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72864737) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72864737
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nccnc1CN1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c1-15-17(21-8-7-20-15)13-22-10-6-19(14-22)5-2-9-23(18(19)24)16-3-11-25-12-4-16/h7-8,16H,2-6,9-14H2,1H3
InChIKeyRQMYAPRKILRYLK-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72864737) is 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nccnc1CN1CCC2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RQMYAPRKILRYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-17(21-8-7-20-15)13-22-10-6-19(14-22)5-2-9-23(18(19)24)16-3-11-25-12-4-16/h7-8,16H,2-6,9-14H2,1H3.
What are the key properties of 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72864737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).