(9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

C19H26N4O4 — CID 125442979

IUPAC(9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCCCc1ccc(OCCNC(=O)N2CCN3C(=O)CNC(=O)[C@@H]3C2)cc1
InChIInChI=1S/C19H26N4O4/c1-2-3-14-4-6-15(7-5-14)27-11-8-20-19(26)22-9-10-23-16(13-22)18(25)21-12-17(23)24/h4-7,16H,2-3,8-13H2,1H3,(H,20,26)(H,21,25)/t16-/m0/s1
InChIKeyGYQXQYOMYZZTGP-INIZCTEOSA-N
MW374.44 g/mol
LogP0.37
Rot. Bonds6

About (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

(9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 125442979) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID125442979
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCCCc1ccc(OCCNC(=O)N2CCN3C(=O)CNC(=O)[C@@H]3C2)cc1
InChIInChI=1S/C19H26N4O4/c1-2-3-14-4-6-15(7-5-14)27-11-8-20-19(26)22-9-10-23-16(13-22)18(25)21-12-17(23)24/h4-7,16H,2-3,8-13H2,1H3,(H,20,26)(H,21,25)/t16-/m0/s1
InChIKeyGYQXQYOMYZZTGP-INIZCTEOSA-N
XLogP0.37
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

(6S)-4-acetyl-6-hydroxy-N-[2-(4-propylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 125439285
4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
CID 122566406
2-(2-methoxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 162923972
ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112972060
1-methyl-3-[2-(4-propylphenoxy)ethyl]urea
CID 70468541
(9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95128087
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922
N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111437978
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100519506
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074

Frequently Asked Questions

What is the IUPAC name of (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (CID 125442979) is (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is CCCc1ccc(OCCNC(=O)N2CCN3C(=O)CNC(=O)[C@@H]3C2)cc1.
What is the InChIKey of (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is GYQXQYOMYZZTGP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-2-3-14-4-6-15(7-5-14)27-11-8-20-19(26)22-9-10-23-16(13-22)18(25)21-12-17(23)24/h4-7,16H,2-3,8-13H2,1H3,(H,20,26)(H,21,25)/t16-/m0/s1.
What are the key properties of (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
(9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 125442979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).