(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

C20H26N2O2 — CID 17249343

IUPAC(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-3-5-17-7-9-18(10-8-17)20(23)22-13-11-21(12-14-22)16-19-6-4-15-24-19/h4,6-10,15H,2-3,5,11-14,16H2,1H3
InChIKeyIVZIZQGIGDXOML-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.58
Rot. Bonds6

About (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 17249343) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID17249343
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-3-5-17-7-9-18(10-8-17)20(23)22-13-11-21(12-14-22)16-19-6-4-15-24-19/h4,6-10,15H,2-3,5,11-14,16H2,1H3
InChIKeyIVZIZQGIGDXOML-UHFFFAOYSA-N
XLogP3.58
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
(3-bromo-5-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46471336
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154835228
(3-fluoro-4-hydroxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154863760
[6-(dimethylamino)-3-pyridinyl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56811923
(3,5-dinitrophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572404
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251
4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113106387
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-[[(S)-methylsulfinyl]methyl]phenyl]methanone
CID 94536612
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763565

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 17249343) is (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is CCCCc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1.
What is the InChIKey of (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IVZIZQGIGDXOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-3-5-17-7-9-18(10-8-17)20(23)22-13-11-21(12-14-22)16-19-6-4-15-24-19/h4,6-10,15H,2-3,5,11-14,16H2,1H3.
What are the key properties of (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17249343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).