(7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C19H19N3O4 — CID 56857921

IUPAC(7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1N[C@H](CO)C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)C[C@H]12
InChIInChI=1S/C19H19N3O4/c23-11-15-19(26)22-8-7-21(10-16(22)17(24)20-15)18(25)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-16,23H,7-8,10-11H2,(H,20,24)/t15-,16-/m1/s1
InChIKeyZVVGXYRZMUNZOY-HZPDHXFCSA-N
MW353.38 g/mol
LogP-0.02
Rot. Bonds2

About (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56857921) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56857921
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1N[C@H](CO)C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)C[C@H]12
InChIInChI=1S/C19H19N3O4/c23-11-15-19(26)22-8-7-21(10-16(22)17(24)20-15)18(25)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-16,23H,7-8,10-11H2,(H,20,24)/t15-,16-/m1/s1
InChIKeyZVVGXYRZMUNZOY-HZPDHXFCSA-N
XLogP-0.02
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-1-(phenanthrene-3-carbonyl)piperazine-2,3-dicarboxylic Acid
CID 9864550
(2s,3r)-1-(Phenanthren-2-Ylcarbonyl)piperazine-2,3-Dicarboxylic Acid
CID 20811874
1-(2-Phenanthrenylcarbonyl)-2,3-piperazinedicarboxylic acid
CID 10293029
(2R,3S)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3-dicarboxylic acid
CID 11485745
[(1R)-1-[[(2S,3R)-3-hydroxy-2-(naphthalene-2-carbonylamino)butanoyl]amino]-3-methylbutyl]boronic acid
CID 24800361
15-[2-(2-Hydroxyethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10404640
(2R,3S)-1-(9,10-Dihydro-phenanthrene-2-carbonyl)-piperazine-2,3-dicarboxylic acid
CID 11337978
(4S,7S,9Z,11aS)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-7-(naphthalene-2-carbonylamino)-6-oxo-3,4,7,8,11,11a-hexahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxamide
CID 44405837
7,18-Bis[2-(2-hydroxyethylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 44421795
(2R,3S)-1-(9-iodophenanthrene-3-carbonyl)piperazine-2,3-dicarboxylic acid
CID 56945410
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)benzamide
CID 91886006
N-[(2S,3S)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 168299344

Frequently Asked Questions

What is the IUPAC name of (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 56857921) is (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is O=C1N[C@H](CO)C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)C[C@H]12.
What is the InChIKey of (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is ZVVGXYRZMUNZOY-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-11-15-19(26)22-8-7-21(10-16(22)17(24)20-15)18(25)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-16,23H,7-8,10-11H2,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 353.38 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56857921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).