(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C17H26N4O — CID 98743883

IUPAC(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN3CCN(C)C[C@H]3C2)c1
InChIInChI=1S/C17H26N4O/c1-3-14-5-4-6-15(11-14)18-17(22)21-10-9-20-8-7-19(2)12-16(20)13-21/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,18,22)/t16-/m0/s1
InChIKeyIDBYABUSAWAWOH-INIZCTEOSA-N
MW302.42 g/mol
LogP1.71
Rot. Bonds2

About (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 98743883) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID98743883
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN3CCN(C)C[C@H]3C2)c1
InChIInChI=1S/C17H26N4O/c1-3-14-5-4-6-15(11-14)18-17(22)21-10-9-20-8-7-19(2)12-16(20)13-21/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,18,22)/t16-/m0/s1
InChIKeyIDBYABUSAWAWOH-INIZCTEOSA-N
XLogP1.71
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 124888522
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 98743883) is (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is CCc1cccc(NC(=O)N2CCN3CCN(C)C[C@H]3C2)c1.
What is the InChIKey of (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IDBYABUSAWAWOH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-14-5-4-6-15(11-14)18-17(22)21-10-9-20-8-7-19(2)12-16(20)13-21/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,18,22)/t16-/m0/s1.
What are the key properties of (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 98743883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).