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

C18H26N4O3 — CID 70774020

IUPAC2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O
InChIInChI=1S/C18H26N4O3/c1-2-3-8-21-12-18(7-5-16(21)24)6-4-9-22(13-18)17(25)14-10-20-15(23)11-19-14/h10-11H,2-9,12-13H2,1H3,(H,20,23)
InChIKeyPLVZOXYDZPGNNP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.41
Rot. Bonds4

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

2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70774020) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70774020
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O
InChIInChI=1S/C18H26N4O3/c1-2-3-8-21-12-18(7-5-16(21)24)6-4-9-22(13-18)17(25)14-10-20-15(23)11-19-14/h10-11H,2-9,12-13H2,1H3,(H,20,23)
InChIKeyPLVZOXYDZPGNNP-UHFFFAOYSA-N
XLogP1.41
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-oxo-1H-pyrazine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56707438
8-[(5-Hydroxy-2-pyrazinyl)carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70718863
2-[2-(dimethylamino)ethyl]-8-[(2-oxo-2,3-dihydro-1H-imidazol-4-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70723217
8-[(5-Hydroxy-2-pyrazinyl)carbonyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754929
4-[(5-Hydroxy-2-pyrazinyl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72837239
5-({4-[3-(4-Ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl}carbonyl)pyrazin-2-ol
CID 72844043
2-{9-[(5-Hydroxypyrazin-2-yl)carbonyl]-3-oxo-2,9-diazaspiro[5.5]undec-2-yl}propanoic acid
CID 72849697
7-Cyclohexyl-2-[(5-hydroxypyrazin-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72909203
8-[(5-Hydroxypyrazin-2-yl)carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72909773
9-[(5-Hydroxypyrazin-2-yl)carbonyl]-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936878
6-(6-oxo-1H-pyrazine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 81627790
(6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95862519

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70774020) is 2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O.
What is the InChIKey of 2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PLVZOXYDZPGNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-3-8-21-12-18(7-5-16(21)24)6-4-9-22(13-18)17(25)14-10-20-15(23)11-19-14/h10-11H,2-9,12-13H2,1H3,(H,20,23).
What are the key properties of 2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70774020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).