2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H28N4O3 — CID 70718863

IUPAC2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O
InChIInChI=1S/C19H28N4O3/c1-14(2)5-9-22-12-19(7-4-17(22)25)6-3-8-23(13-19)18(26)15-10-21-16(24)11-20-15/h10-11,14H,3-9,12-13H2,1-2H3,(H,21,24)
InChIKeyQANOUHYENZKBCQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.66
Rot. Bonds4

About 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70718863) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70718863
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O
InChIInChI=1S/C19H28N4O3/c1-14(2)5-9-22-12-19(7-4-17(22)25)6-3-8-23(13-19)18(26)15-10-21-16(24)11-20-15/h10-11,14H,3-9,12-13H2,1-2H3,(H,21,24)
InChIKeyQANOUHYENZKBCQ-UHFFFAOYSA-N
XLogP1.66
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70718863) is 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CC(C)CCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O.
What is the InChIKey of 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is QANOUHYENZKBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14(2)5-9-22-12-19(7-4-17(22)25)6-3-8-23(13-19)18(26)15-10-21-16(24)11-20-15/h10-11,14H,3-9,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.46 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70718863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).