(2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide

C17H21ClN4O3 — CID 96529788

IUPAC(2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1Cl)N1CCN2C(=O)C(=O)NC[C@@H]2C1
InChIInChI=1S/C17H21ClN4O3/c1-11(15(23)19-8-12-4-2-3-5-14(12)18)21-6-7-22-13(10-21)9-20-16(24)17(22)25/h2-5,11,13H,6-10H2,1H3,(H,19,23)(H,20,24)/t11-,13-/m1/s1
InChIKeyRCXJDKMLCWHKPN-DGCLKSJQSA-N
MW364.83 g/mol
LogP-0.01
Rot. Bonds4

About (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide

(2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 96529788) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID96529788
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name(2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1Cl)N1CCN2C(=O)C(=O)NC[C@@H]2C1
InChIInChI=1S/C17H21ClN4O3/c1-11(15(23)19-8-12-4-2-3-5-14(12)18)21-6-7-22-13(10-21)9-20-16(24)17(22)25/h2-5,11,13H,6-10H2,1H3,(H,19,23)(H,20,24)/t11-,13-/m1/s1
InChIKeyRCXJDKMLCWHKPN-DGCLKSJQSA-N
XLogP-0.01
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 124777590
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 136513372
(2S)-N-[(2-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide
CID 9444015
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432670
(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
1-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122121551
N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 46631275
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7988265
(2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7815785
(2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7988266
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680288
N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122162435

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide (CID 96529788) is (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide is C[C@H](C(=O)NCc1ccccc1Cl)N1CCN2C(=O)C(=O)NC[C@@H]2C1.
What is the InChIKey of (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is RCXJDKMLCWHKPN-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-11(15(23)19-8-12-4-2-3-5-14(12)18)21-6-7-22-13(10-21)9-20-16(24)17(22)25/h2-5,11,13H,6-10H2,1H3,(H,19,23)(H,20,24)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide?
(2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 364.83 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 96529788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).