(7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

C18H30N4O3 — CID 56856640

IUPAC(7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O
InChIInChI=1S/C18H30N4O3/c1-3-12(2)15-17(24)22-10-9-21(11-14(22)16(23)20-15)18(25)19-13-7-5-4-6-8-13/h12-15H,3-11H2,1-2H3,(H,19,25)(H,20,23)/t12-,14+,15-/m0/s1
InChIKeyNMYGLMXTDQSCIT-CFVMTHIKSA-N
MW350.46 g/mol
LogP1.09
Rot. Bonds3

About (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

(7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 56856640) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID56856640
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O
InChIInChI=1S/C18H30N4O3/c1-3-12(2)15-17(24)22-10-9-21(11-14(22)16(23)20-15)18(25)19-13-7-5-4-6-8-13/h12-15H,3-11H2,1-2H3,(H,19,25)(H,20,23)/t12-,14+,15-/m0/s1
InChIKeyNMYGLMXTDQSCIT-CFVMTHIKSA-N
XLogP1.09
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (CID 56856640) is (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O.
What is the InChIKey of (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is NMYGLMXTDQSCIT-CFVMTHIKSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-3-12(2)15-17(24)22-10-9-21(11-14(22)16(23)20-15)18(25)19-13-7-5-4-6-8-13/h12-15H,3-11H2,1-2H3,(H,19,25)(H,20,23)/t12-,14+,15-/m0/s1.
What are the key properties of (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
(7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-7-[(2S)-butan-2-yl]-N-cyclohexyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56856640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).