[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C24H26FN5O — CID 91952359

IUPAC[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(c2ccnc3ccc(F)cc23)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H26FN5O/c25-19-4-5-21-20(17-19)22(6-10-26-21)28-11-7-18(8-12-28)24(31)30-15-13-29(14-16-30)23-3-1-2-9-27-23/h1-6,9-10,17-18H,7-8,11-16H2
InChIKeyAMJZTSKRWVAOOP-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.33
Rot. Bonds3

About [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 91952359) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID91952359
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(c2ccnc3ccc(F)cc23)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H26FN5O/c25-19-4-5-21-20(17-19)22(6-10-26-21)28-11-7-18(8-12-28)24(31)30-15-13-29(14-16-30)23-3-1-2-9-27-23/h1-6,9-10,17-18H,7-8,11-16H2
InChIKeyAMJZTSKRWVAOOP-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-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-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 91952391
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90609863
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 166110470
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
CID 91952255
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44756867
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
CID 91952340

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 91952359) is [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(C1CCN(c2ccnc3ccc(F)cc23)CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is AMJZTSKRWVAOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c25-19-4-5-21-20(17-19)22(6-10-26-21)28-11-7-18(8-12-28)24(31)30-15-13-29(14-16-30)23-3-1-2-9-27-23/h1-6,9-10,17-18H,7-8,11-16H2.
What are the key properties of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 419.50 g/mol, XLogP of 3.33, 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-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 91952359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).