N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide

C17H26N6O — CID 51085066

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCN2CCCCC12)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H26N6O/c24-17(20-14-4-8-21-7-2-1-3-15(14)21)23-11-9-22(10-12-23)16-13-18-5-6-19-16/h5-6,13-15H,1-4,7-12H2,(H,20,24)
InChIKeyJHFOXIUUGMNBSN-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.94
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 51085066) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID51085066
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCN2CCCCC12)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H26N6O/c24-17(20-14-4-8-21-7-2-1-3-15(14)21)23-11-9-22(10-12-23)16-13-18-5-6-19-16/h5-6,13-15H,1-4,7-12H2,(H,20,24)
InChIKeyJHFOXIUUGMNBSN-UHFFFAOYSA-N
XLogP0.94
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94031670
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94125453
(3-aminocyclopentyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 66009185
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 100852720
N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55110319
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95126760
1-(cyclopropanecarbonyl)-4-pyrazin-2-yl-1,4-diazepane-6-carboxylic acid
CID 74244449
(3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
CID 98799340
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 51724704

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 51085066) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide is O=C(NC1CCN2CCCCC12)N1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is JHFOXIUUGMNBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c24-17(20-14-4-8-21-7-2-1-3-15(14)21)23-11-9-22(10-12-23)16-13-18-5-6-19-16/h5-6,13-15H,1-4,7-12H2,(H,20,24).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51085066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).