(9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

C20H28N4O3 — CID 97276497

IUPAC(9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCN1CCN2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)C[C@H]2C1=O
InChIInChI=1S/C20H28N4O3/c1-22-9-10-23-11-12-24(14-18(23)19(22)25)20(26)21-15-5-4-8-17(13-15)27-16-6-2-3-7-16/h4-5,8,13,16,18H,2-3,6-7,9-12,14H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyNDNZHEYMVJSZMS-SFHVURJKSA-N
MW372.47 g/mol
LogP2.00
Rot. Bonds3

About (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

(9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 97276497) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID97276497
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCN1CCN2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)C[C@H]2C1=O
InChIInChI=1S/C20H28N4O3/c1-22-9-10-23-11-12-24(14-18(23)19(22)25)20(26)21-15-5-4-8-17(13-15)27-16-6-2-3-7-16/h4-5,8,13,16,18H,2-3,6-7,9-12,14H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyNDNZHEYMVJSZMS-SFHVURJKSA-N
XLogP2.00
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820
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CID 9419667
4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
CID 20629788
N-(3-cyclohexyloxyphenyl)-4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxamide
CID 23072106
N-(3-cyclopentyloxyphenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CID 23139953
N-(3-cyclohexyloxyphenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CID 67082409
(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 163129765
2-amino-N-(3-cyclopentyloxyphenyl)propanamide
CID 82044663
(9aR)-2-(2-anilinopyrimidine-5-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95132496
(7S,9aR)-7-(cyclohexylmethyl)-N-(3-methoxyphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7161748
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594

Frequently Asked Questions

What is the IUPAC name of (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (CID 97276497) is (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is CN1CCN2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)C[C@H]2C1=O.
What is the InChIKey of (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is NDNZHEYMVJSZMS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-22-9-10-23-11-12-24(14-18(23)19(22)25)20(26)21-15-5-4-8-17(13-15)27-16-6-2-3-7-16/h4-5,8,13,16,18H,2-3,6-7,9-12,14H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
(9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 97276497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).