N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

C23H26FIN4O — CID 164626715

IUPACN-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2nccc(CCN3CCC(NCc4ccc(I)c(F)c4)CC3)c2n1
InChIInChI=1S/C23H26FIN4O/c1-30-22-5-4-21-23(28-22)17(6-10-26-21)7-11-29-12-8-18(9-13-29)27-15-16-2-3-20(25)19(24)14-16/h2-6,10,14,18,27H,7-9,11-13,15H2,1H3
InChIKeyKLPNELPTKNRMMW-UHFFFAOYSA-N
MW520.39 g/mol
LogP4.18
Rot. Bonds7

About N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (PubChem CID 164626715) has the molecular formula C23H26FIN4O and a molecular weight of 520.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
PubChem CID164626715
Molecular FormulaC23H26FIN4O
Molecular Weight520.39 g/mol
Exact Mass520.11
IUPAC NameN-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2nccc(CCN3CCC(NCc4ccc(I)c(F)c4)CC3)c2n1
InChIInChI=1S/C23H26FIN4O/c1-30-22-5-4-21-23(28-22)17(6-10-26-21)7-11-29-12-8-18(9-13-29)27-15-16-2-3-20(25)19(24)14-16/h2-6,10,14,18,27H,7-9,11-13,15H2,1H3
InChIKeyKLPNELPTKNRMMW-UHFFFAOYSA-N
XLogP4.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (CID 164626715) is N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is COc1ccc2nccc(CCN3CCC(NCc4ccc(I)c(F)c4)CC3)c2n1.
What is the InChIKey of N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The InChIKey is KLPNELPTKNRMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FIN4O/c1-30-22-5-4-21-23(28-22)17(6-10-26-21)7-11-29-12-8-18(9-13-29)27-15-16-2-3-20(25)19(24)14-16/h2-6,10,14,18,27H,7-9,11-13,15H2,1H3.
What are the key properties of N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine has a molecular weight of 520.39 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 164626715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).