1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone

C19H32N4O2 — CID 140684438

IUPAC1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1C2CCCCC2N(C(=O)C2CCC3NCCN3C2)C[C@@H]1C
InChIInChI=1S/C19H32N4O2/c1-13-11-22(16-5-3-4-6-17(16)23(13)14(2)24)19(25)15-7-8-18-20-9-10-21(18)12-15/h13,15-18,20H,3-12H2,1-2H3/t13-,15?,16?,17?,18?/m0/s1
InChIKeyXFPDDSKSZKBPMR-FCCIYARUSA-N
MW348.49 g/mol
LogP1.02
Rot. Bonds1

About 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone

1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone (PubChem CID 140684438) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
PubChem CID140684438
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1C2CCCCC2N(C(=O)C2CCC3NCCN3C2)C[C@@H]1C
InChIInChI=1S/C19H32N4O2/c1-13-11-22(16-5-3-4-6-17(16)23(13)14(2)24)19(25)15-7-8-18-20-9-10-21(18)12-15/h13,15-18,20H,3-12H2,1-2H3/t13-,15?,16?,17?,18?/m0/s1
InChIKeyXFPDDSKSZKBPMR-FCCIYARUSA-N
XLogP1.02
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-6-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 140684968
1-[(2S)-4-(cyclopropanecarbonyl)-2-methyl-6-(4-morpholin-4-ylcyclohexyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 140684285
6-methyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 172615340
1-[(3S)-4-acetyl-3-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-2-(oxan-4-yl)ethanone
CID 140684554
1-[(2S)-4-(cyclopropanecarbonyl)-6-(3-ethylsulfonylcyclohexyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 140685019
(1S,11R)-2-(1-acetylpiperidine-4-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201208
3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
CID 112546665
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
1-[(2S)-4-(cyclobutanecarbonyl)-2-methyl-6-(4-methylsulfonylcyclohexyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 118080559
1-[(2S)-4-(cyclopropanecarbonyl)-6-(4-ethylsulfonylcyclohexyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 140734800
4-[(2S)-1-acetyl-4-(cyclopropanecarbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-6-yl]-N-methylcyclohexane-1-sulfonamide
CID 140684584
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone (CID 140684438) is 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone is CC(=O)N1C2CCCCC2N(C(=O)C2CCC3NCCN3C2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone?
The InChIKey is XFPDDSKSZKBPMR-FCCIYARUSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-13-11-22(16-5-3-4-6-17(16)23(13)14(2)24)19(25)15-7-8-18-20-9-10-21(18)12-15/h13,15-18,20H,3-12H2,1-2H3/t13-,15?,16?,17?,18?/m0/s1.
What are the key properties of 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone?
1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone has a molecular weight of 348.49 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-6-carbonyl)-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 140684438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).