N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide

C25H25F2N3O — CID 139408558

IUPACN-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(N2CCC(c3ccnc4ccc(F)cc34)CC2)CCC1
InChIInChI=1S/C25H25F2N3O/c26-18-2-5-20(6-3-18)29-24(31)25(11-1-12-25)30-14-9-17(10-15-30)21-8-13-28-23-7-4-19(27)16-22(21)23/h2-8,13,16-17H,1,9-12,14-15H2,(H,29,31)
InChIKeyNSEAFQHEWORRCQ-UHFFFAOYSA-N
MW421.49 g/mol
LogP5.25
Rot. Bonds4

About N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide

N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide (PubChem CID 139408558) has the molecular formula C25H25F2N3O and a molecular weight of 421.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide
PubChem CID139408558
Molecular FormulaC25H25F2N3O
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC NameN-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(N2CCC(c3ccnc4ccc(F)cc34)CC2)CCC1
InChIInChI=1S/C25H25F2N3O/c26-18-2-5-20(6-3-18)29-24(31)25(11-1-12-25)30-14-9-17(10-15-30)21-8-13-28-23-7-4-19(27)16-22(21)23/h2-8,13,16-17H,1,9-12,14-15H2,(H,29,31)
InChIKeyNSEAFQHEWORRCQ-UHFFFAOYSA-N
XLogP5.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-N-(3,4,5-trifluorophenyl)cyclobutane-1-carboxamide
CID 139408582
N-(4-fluorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 155221367
N-(4-fluorophenyl)-7-(6-fluoroquinolin-4-yl)-1-oxaspiro[3.5]nonane-3-carboxamide
CID 147374433
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
4-[[2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]benzamide
CID 139295457
7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide
CID 155221283
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide
CID 155629867
(3S)-N-(4-cyclopropylphenyl)-7-(6-fluoroquinolin-4-yl)spiro[3.5]nonane-3-carboxamide
CID 138577029
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]acetic acid;2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
CID 158628947
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide (CID 139408558) is N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide is O=C(Nc1ccc(F)cc1)C1(N2CCC(c3ccnc4ccc(F)cc34)CC2)CCC1.
What is the InChIKey of N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide?
The InChIKey is NSEAFQHEWORRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O/c26-18-2-5-20(6-3-18)29-24(31)25(11-1-12-25)30-14-9-17(10-15-30)21-8-13-28-23-7-4-19(27)16-22(21)23/h2-8,13,16-17H,1,9-12,14-15H2,(H,29,31).
What are the key properties of N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide?
N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 139408558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).