(7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C16H24N4O4 — CID 11886368

IUPAC(7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(=O)N1CCC(C(=O)N2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)CC1
InChIInChI=1S/C16H24N4O4/c1-10-15(23)20-8-7-19(9-13(20)14(22)17-10)16(24)12-3-5-18(6-4-12)11(2)21/h10,12-13H,3-9H2,1-2H3,(H,17,22)/t10-,13+/m0/s1
InChIKeyIEBTVTVUHXKGIZ-GXFFZTMASA-N
MW336.39 g/mol
LogP-1.20
Rot. Bonds1

About (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 11886368) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID11886368
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(=O)N1CCC(C(=O)N2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)CC1
InChIInChI=1S/C16H24N4O4/c1-10-15(23)20-8-7-19(9-13(20)14(22)17-10)16(24)12-3-5-18(6-4-12)11(2)21/h10,12-13H,3-9H2,1-2H3,(H,17,22)/t10-,13+/m0/s1
InChIKeyIEBTVTVUHXKGIZ-GXFFZTMASA-N
XLogP-1.20
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Launch Full Analysis

Related Compounds

(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 7156157
1-Cyclohexyl-4-{[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}-2-piperazinone
CID 24793171
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
(7R,9aR)-N-cyclohexyl-7-isopropyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56856254
(7S,9aR)-N-cyclohexyl-7-[(1S)-1-methylpropyl]-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56856640
(7S,9aR)-N-cyclohexyl-7-isopropyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126461967
1-(2-Piperazinylacetyl)-4-piperidylpiperidine-4-carboxamide
CID 5298660
4-(2,2-Dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
CID 45184982
N-isopropyl-1'-[(1-methyl-2-piperidinyl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 45235957
8-[(2-oxopiperidin-1-yl)acetyl]hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50956490
2-methyl-8-piperidin-4-ylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50958892
2-methyl-8-[(4-methylpiperidin-4-yl)carbonyl]octahydro-2H-pyrazino[1,2-a]pyrazine
CID 50978431

Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 11886368) is (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CC(=O)N1CCC(C(=O)N2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)CC1.
What is the InChIKey of (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is IEBTVTVUHXKGIZ-GXFFZTMASA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10-15(23)20-8-7-19(9-13(20)14(22)17-10)16(24)12-3-5-18(6-4-12)11(2)21/h10,12-13H,3-9H2,1-2H3,(H,17,22)/t10-,13+/m0/s1.
What are the key properties of (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 336.39 g/mol, XLogP of -1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-2-(1-acetylpiperidine-4-carbonyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 11886368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).