7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H26N4O3 — CID 72909203

IUPAC7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C19H26N4O3/c24-16-12-20-15(11-21-16)17(25)22-10-8-19(13-22)7-4-9-23(18(19)26)14-5-2-1-3-6-14/h11-12,14H,1-10,13H2,(H,21,24)
InChIKeyBKLJYUKROXFMFO-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.56
Rot. Bonds2

About 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72909203) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72909203
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C19H26N4O3/c24-16-12-20-15(11-21-16)17(25)22-10-8-19(13-22)7-4-9-23(18(19)26)14-5-2-1-3-6-14/h11-12,14H,1-10,13H2,(H,21,24)
InChIKeyBKLJYUKROXFMFO-UHFFFAOYSA-N
XLogP1.56
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72909203) is 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1c[nH]c(=O)cn1)N1CCC2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BKLJYUKROXFMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-16-12-20-15(11-21-16)17(25)22-10-8-19(13-22)7-4-9-23(18(19)26)14-5-2-1-3-6-14/h11-12,14H,1-10,13H2,(H,21,24).
What are the key properties of 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.44 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72909203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).