(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C18H23N5O3 — CID 95131956

IUPAC(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)c3cccc(N4CCNC4=O)c3)C[C@@H]2C1=O
InChIInChI=1S/C18H23N5O3/c1-20-7-8-21-9-10-22(12-15(21)17(20)25)16(24)13-3-2-4-14(11-13)23-6-5-19-18(23)26/h2-4,11,15H,5-10,12H2,1H3,(H,19,26)/t15-/m1/s1
InChIKeyQSTJITKTJLTQKL-OAHLLOKOSA-N
MW357.41 g/mol
LogP-0.19
Rot. Bonds2

About (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95131956) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95131956
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)c3cccc(N4CCNC4=O)c3)C[C@@H]2C1=O
InChIInChI=1S/C18H23N5O3/c1-20-7-8-21-9-10-22(12-15(21)17(20)25)16(24)13-3-2-4-14(11-13)23-6-5-19-18(23)26/h2-4,11,15H,5-10,12H2,1H3,(H,19,26)/t15-/m1/s1
InChIKeyQSTJITKTJLTQKL-OAHLLOKOSA-N
XLogP-0.19
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

(9aR)-8-methyl-2-[3-(1,2,4-triazol-4-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95124209
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
1-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 124590622
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55700209
(5R)-7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115574
1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55830150
1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 135118542
4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 55738186
1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one
CID 97077495
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 51100170
1-[3-(3-methylmorpholine-4-carbonyl)phenyl]imidazolidin-2-one
CID 51087000

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95131956) is (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(C(=O)c3cccc(N4CCNC4=O)c3)C[C@@H]2C1=O.
What is the InChIKey of (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is QSTJITKTJLTQKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-20-7-8-21-9-10-22(12-15(21)17(20)25)16(24)13-3-2-4-14(11-13)23-6-5-19-18(23)26/h2-4,11,15H,5-10,12H2,1H3,(H,19,26)/t15-/m1/s1.
What are the key properties of (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 357.41 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95131956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).