azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone

C21H26FN3O — CID 91952386

IUPACazepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccnc3ccc(F)cc23)CC1)N1CCCCCC1
InChIInChI=1S/C21H26FN3O/c22-17-5-6-19-18(15-17)20(7-10-23-19)24-13-8-16(9-14-24)21(26)25-11-3-1-2-4-12-25/h5-7,10,15-16H,1-4,8-9,11-14H2
InChIKeyCNWATUDXTDNIFX-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.99
Rot. Bonds2

About azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone

azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone (PubChem CID 91952386) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
PubChem CID91952386
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Nameazepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccnc3ccc(F)cc23)CC1)N1CCCCCC1
InChIInChI=1S/C21H26FN3O/c22-17-5-6-19-18(15-17)20(7-10-23-19)24-13-8-16(9-14-24)21(26)25-11-3-1-2-4-12-25/h5-7,10,15-16H,1-4,8-9,11-14H2
InChIKeyCNWATUDXTDNIFX-UHFFFAOYSA-N
XLogP3.99
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 91952391
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563717
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
CID 91952255
[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 166110470
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone (CID 91952386) is azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccnc3ccc(F)cc23)CC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone?
The InChIKey is CNWATUDXTDNIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-17-5-6-19-18(15-17)20(7-10-23-19)24-13-8-16(9-14-24)21(26)25-11-3-1-2-4-12-25/h5-7,10,15-16H,1-4,8-9,11-14H2.
What are the key properties of azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone has a molecular weight of 355.46 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 91952386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).