1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone

C21H32N4O3 — CID 57442857

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)oc1C
InChIInChI=1S/C21H32N4O3/c1-16-14-19(28-17(16)2)21(27)25-8-6-22(7-9-25)15-20(26)24-12-10-23(11-13-24)18-4-3-5-18/h14,18H,3-13,15H2,1-2H3
InChIKeyFNYVNYXFBUMHLE-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.35
Rot. Bonds4

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 57442857) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID57442857
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)oc1C
InChIInChI=1S/C21H32N4O3/c1-16-14-19(28-17(16)2)21(27)25-8-6-22(7-9-25)15-20(26)24-12-10-23(11-13-24)18-4-3-5-18/h14,18H,3-13,15H2,1-2H3
InChIKeyFNYVNYXFBUMHLE-UHFFFAOYSA-N
XLogP1.35
TPSA60.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
[4-(1-Adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 6469386
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,3,5-trimethyl-2-furamide
CID 24817851
Furan-2-yl[4-(4-methylbenzyl)piperazin-1-yl]methanone
CID 780086
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylfuran-2-yl)-methanone
CID 11602209
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-furan-2-yl}-methanone
CID 11645244
[5-(4-tert-Butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)-methanone
CID 24857856
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methylfuran-2-yl)methanone
CID 24945299
1'-[5-(Phenylethynyl)-2-furoyl]-1,4'-bipiperidine-4'-carboxamide
CID 1256158
Furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
5-Morpholin-4-ylmethyl-furan-2-carboxylic acid cyclopentyl-[(4-methoxy-benzylcarbamoyl)-methyl]-amide
CID 655110
1-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 776731

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone (CID 57442857) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone is Cc1cc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)oc1C.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is FNYVNYXFBUMHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-16-14-19(28-17(16)2)21(27)25-8-6-22(7-9-25)15-20(26)24-12-10-23(11-13-24)18-4-3-5-18/h14,18H,3-13,15H2,1-2H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 388.51 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57442857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).