(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone

C17H26N5O2+ — CID 6946276

IUPAC(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
SMILESCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnccn3)C2)CC1
InChIInChI=1S/C17H25N5O2/c1-2-20-8-10-21(11-9-20)16(23)14-4-3-7-22(13-14)17(24)15-12-18-5-6-19-15/h5-6,12,14H,2-4,7-11,13H2,1H3/p+1/t14-/m0/s1
InChIKeyQQBAKAZASOZDIT-AWEZNQCLSA-O
MW332.43 g/mol
LogP-0.92
Rot. Bonds3

About (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone

(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 6946276) has the molecular formula C17H26N5O2+ and a molecular weight of 332.43 g/mol. Its IUPAC name is (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
PubChem CID6946276
Molecular FormulaC17H26N5O2+
Molecular Weight332.43 g/mol
Exact Mass332.21
IUPAC Name(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
SMILESCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnccn3)C2)CC1
InChIInChI=1S/C17H25N5O2/c1-2-20-8-10-21(11-9-20)16(23)14-4-3-7-22(13-14)17(24)15-12-18-5-6-19-15/h5-6,12,14H,2-4,7-11,13H2,1H3/p+1/t14-/m0/s1
InChIKeyQQBAKAZASOZDIT-AWEZNQCLSA-O
XLogP-0.92
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 816652
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 7296485
[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031812
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 7419606
cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7371550
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031784
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone (CID 6946276) is (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone is CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnccn3)C2)CC1.
What is the InChIKey of (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is QQBAKAZASOZDIT-AWEZNQCLSA-O. The full InChI is InChI=1S/C17H25N5O2/c1-2-20-8-10-21(11-9-20)16(23)14-4-3-7-22(13-14)17(24)15-12-18-5-6-19-15/h5-6,12,14H,2-4,7-11,13H2,1H3/p+1/t14-/m0/s1.
What are the key properties of (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone?
(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 6946276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).