N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide

C23H23ClFN3O2 — CID 121318124

IUPACN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N1CCC(Oc2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H23ClFN3O2/c1-15(23(29)27-18-5-2-16(24)3-6-18)28-12-9-19(10-13-28)30-22-8-11-26-21-7-4-17(25)14-20(21)22/h2-8,11,14-15,19H,9-10,12-13H2,1H3,(H,27,29)
InChIKeyJOMPEBQANPZAPO-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.90
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide (PubChem CID 121318124) has the molecular formula C23H23ClFN3O2 and a molecular weight of 427.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide
PubChem CID121318124
Molecular FormulaC23H23ClFN3O2
Molecular Weight427.91 g/mol
Exact Mass427.15
IUPAC NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N1CCC(Oc2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H23ClFN3O2/c1-15(23(29)27-18-5-2-16(24)3-6-18)28-12-9-19(10-13-28)30-22-8-11-26-21-7-4-17(25)14-20(21)22/h2-8,11,14-15,19H,9-10,12-13H2,1H3,(H,27,29)
InChIKeyJOMPEBQANPZAPO-UHFFFAOYSA-N
XLogP4.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide (CID 121318124) is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)N1CCC(Oc2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide?
The InChIKey is JOMPEBQANPZAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2/c1-15(23(29)27-18-5-2-16(24)3-6-18)28-12-9-19(10-13-28)30-22-8-11-26-21-7-4-17(25)14-20(21)22/h2-8,11,14-15,19H,9-10,12-13H2,1H3,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide?
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide has a molecular weight of 427.91 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide is sourced from PubChem (CID 121318124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).