[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone

C21H21FN4O2 — CID 109209475

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1cc(NCc2ccco2)ccn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4O2/c22-16-3-5-18(6-4-16)25-9-11-26(12-10-25)21(27)20-14-17(7-8-23-20)24-15-19-2-1-13-28-19/h1-8,13-14H,9-12,15H2,(H,23,24)
InChIKeyVHDPZWATCVWKOX-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.39
Rot. Bonds5

About [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109209475) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109209475
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1cc(NCc2ccco2)ccn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4O2/c22-16-3-5-18(6-4-16)25-9-11-26(12-10-25)21(27)20-14-17(7-8-23-20)24-15-19-2-1-13-28-19/h1-8,13-14H,9-12,15H2,(H,23,24)
InChIKeyVHDPZWATCVWKOX-UHFFFAOYSA-N
XLogP3.39
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
[4-(furan-2-ylmethylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109209484
[4-(furan-2-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206395
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109231488
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone
CID 109326797
[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205080
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209464
[2-(furan-2-ylmethylamino)pyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109303310
[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109169331
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone (CID 109209475) is [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone is O=C(c1cc(NCc2ccco2)ccn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is VHDPZWATCVWKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-16-3-5-18(6-4-16)25-9-11-26(12-10-25)21(27)20-14-17(7-8-23-20)24-15-19-2-1-13-28-19/h1-8,13-14H,9-12,15H2,(H,23,24).
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone has a molecular weight of 380.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109209475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).