N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide

C23H24F2N4O — CID 55841391

IUPACN-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(Cc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C23H24F2N4O/c1-16(23(30)27-21-6-2-5-19(24)14-21)29-10-8-28(9-11-29)15-18-13-20(25)12-17-4-3-7-26-22(17)18/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,30)
InChIKeyHKOPVWREXPIUSL-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.66
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide

N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 55841391) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
PubChem CID55841391
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC NameN-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(Cc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C23H24F2N4O/c1-16(23(30)27-21-6-2-5-19(24)14-21)29-10-8-28(9-11-29)15-18-13-20(25)12-17-4-3-7-26-22(17)18/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,30)
InChIKeyHKOPVWREXPIUSL-UHFFFAOYSA-N
XLogP3.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide
CID 51087134
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 120902801
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55843314
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 42937435
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide (CID 55841391) is N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1cccc(F)c1)N1CCN(Cc2cc(F)cc3cccnc23)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is HKOPVWREXPIUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c1-16(23(30)27-21-6-2-5-19(24)14-21)29-10-8-28(9-11-29)15-18-13-20(25)12-17-4-3-7-26-22(17)18/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,30).
What are the key properties of N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide?
N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 410.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55841391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).