(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone

C18H28N3O3+ — CID 7419606

IUPAC(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
SMILESCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-19-8-10-20(11-9-19)17(22)15-5-4-7-21(13-15)18(23)16-6-12-24-14(16)2/h6,12,15H,3-5,7-11,13H2,1-2H3/p+1/t15-/m1/s1
InChIKeyYITCUAGUAJXJOF-OAHLLOKOSA-O
MW334.44 g/mol
LogP0.19
Rot. Bonds3

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

(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 7419606) has the molecular formula C18H28N3O3+ and a molecular weight of 334.44 g/mol. Its IUPAC name is (4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
PubChem CID7419606
Molecular FormulaC18H28N3O3+
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
SMILESCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-19-8-10-20(11-9-19)17(22)15-5-4-7-21(13-15)18(23)16-6-12-24-14(16)2/h6,12,15H,3-5,7-11,13H2,1-2H3/p+1/t15-/m1/s1
InChIKeyYITCUAGUAJXJOF-OAHLLOKOSA-O
XLogP0.19
TPSA58.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
(4-benzylpiperidin-1-yl)-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 3492446
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 4684165
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 4615764
1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
CID 42780033
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 1030634
(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 6946276
cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7371550
tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate
CID 52511320
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone (CID 7419606) is (4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone is CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)CC1.
What is the InChIKey of (4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is YITCUAGUAJXJOF-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H27N3O3/c1-3-19-8-10-20(11-9-19)17(22)15-5-4-7-21(13-15)18(23)16-6-12-24-14(16)2/h6,12,15H,3-5,7-11,13H2,1-2H3/p+1/t15-/m1/s1.
What are the key properties of (4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 334.44 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 7419606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).