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

C24H29FN4O3 — CID 91952391

IUPAC[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(c2ccnc3ccc(F)cc23)CC1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C24H29FN4O3/c25-18-3-4-20-19(16-18)21(5-8-26-20)27-9-6-17(7-10-27)23(30)28-11-13-29(14-12-28)24(31)22-2-1-15-32-22/h3-5,8,16-17,22H,1-2,6-7,9-15H2
InChIKeyFXJRIEWHVMULDX-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.44
Rot. Bonds3

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

[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 91952391) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
PubChem CID91952391
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(c2ccnc3ccc(F)cc23)CC1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C24H29FN4O3/c25-18-3-4-20-19(16-18)21(5-8-26-20)27-9-6-17(7-10-27)23(30)28-11-13-29(14-12-28)24(31)22-2-1-15-32-22/h3-5,8,16-17,22H,1-2,6-7,9-15H2
InChIKeyFXJRIEWHVMULDX-UHFFFAOYSA-N
XLogP2.44
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359
oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 171996126
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 166110470
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
CID 91952340
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
CID 91952255
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone (CID 91952391) is [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone is O=C(C1CCN(c2ccnc3ccc(F)cc23)CC1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is FXJRIEWHVMULDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c25-18-3-4-20-19(16-18)21(5-8-26-20)27-9-6-17(7-10-27)23(30)28-11-13-29(14-12-28)24(31)22-2-1-15-32-22/h3-5,8,16-17,22H,1-2,6-7,9-15H2.
What are the key properties of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone?
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 440.52 g/mol, XLogP of 2.44, 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-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91952391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).