[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C24H25FN4O3 — CID 91952249

IUPAC[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCCN(c3ccnc4ccc(F)cc34)C2)CC1
InChIInChI=1S/C24H25FN4O3/c25-18-5-6-20-19(15-18)21(7-8-26-20)29-9-1-3-17(16-29)23(30)27-10-12-28(13-11-27)24(31)22-4-2-14-32-22/h2,4-8,14-15,17H,1,3,9-13,16H2
InChIKeyGZXHZFQFXWJFTG-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.17
Rot. Bonds3

About [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 91952249) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID91952249
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCCN(c3ccnc4ccc(F)cc34)C2)CC1
InChIInChI=1S/C24H25FN4O3/c25-18-5-6-20-19(15-18)21(7-8-26-20)29-9-1-3-17(16-29)23(30)27-10-12-28(13-11-27)24(31)22-4-2-14-32-22/h2,4-8,14-15,17H,1,3,9-13,16H2
InChIKeyGZXHZFQFXWJFTG-UHFFFAOYSA-N
XLogP3.17
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 91952249) is [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CCCN(c3ccnc4ccc(F)cc34)C2)CC1.
What is the InChIKey of [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is GZXHZFQFXWJFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-18-5-6-20-19(15-18)21(7-8-26-20)29-9-1-3-17(16-29)23(30)27-10-12-28(13-11-27)24(31)22-4-2-14-32-22/h2,4-8,14-15,17H,1,3,9-13,16H2.
What are the key properties of [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 436.49 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoroquinolin-4-yl)piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91952249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).