N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide

C24H26FN3O — CID 90670167

IUPACN-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide
SMILESCC(c1nccc2ccccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C24H26FN3O/c1-17(23-22-8-3-2-6-19(22)9-12-26-23)28-13-10-20(11-14-28)24(29)27-16-18-5-4-7-21(25)15-18/h2-9,12,15,17,20H,10-11,13-14,16H2,1H3,(H,27,29)
InChIKeyNVGJOJDKMKUIJA-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.46
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide

N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 90670167) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide
PubChem CID90670167
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide
SMILESCC(c1nccc2ccccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C24H26FN3O/c1-17(23-22-8-3-2-6-19(22)9-12-26-23)28-13-10-20(11-14-28)24(29)27-16-18-5-4-7-21(25)15-18/h2-9,12,15,17,20H,10-11,13-14,16H2,1H3,(H,27,29)
InChIKeyNVGJOJDKMKUIJA-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide (CID 90670167) is N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide is CC(c1nccc2ccccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is NVGJOJDKMKUIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-17(23-22-8-3-2-6-19(22)9-12-26-23)28-13-10-20(11-14-28)24(29)27-16-18-5-4-7-21(25)15-18/h2-9,12,15,17,20H,10-11,13-14,16H2,1H3,(H,27,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-(1-isoquinolin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 90670167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).