2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

C24H26FN5O2 — CID 37314134

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C24H26FN5O2/c25-18-6-4-17(5-7-18)14-27-24(32)28-16-23(31)29-21-8-9-22(30-12-2-1-3-13-30)19-10-11-26-15-20(19)21/h4-11,15H,1-3,12-14,16H2,(H,29,31)(H2,27,28,32)
InChIKeyRABUOGSQFRWYCM-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.80
Rot. Bonds6

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (PubChem CID 37314134) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
PubChem CID37314134
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C24H26FN5O2/c25-18-6-4-17(5-7-18)14-27-24(32)28-16-23(31)29-21-8-9-22(30-12-2-1-3-13-30)19-10-11-26-15-20(19)21/h4-11,15H,1-3,12-14,16H2,(H,29,31)(H2,27,28,32)
InChIKeyRABUOGSQFRWYCM-UHFFFAOYSA-N
XLogP3.80
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 26074503
2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 71889674
2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55501395
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55493627
N-[4-oxo-4-[(5-piperidin-1-ylisoquinolin-8-yl)amino]butyl]benzamide
CID 39235528
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 95154350
2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 95154351
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085
3,3-dicyclopropyl-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide
CID 71889673
2-iodo-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
CID 25413509
4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide
CID 55706633
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide
CID 26075000

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (CID 37314134) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(N2CCCCC2)c2ccncc12.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The InChIKey is RABUOGSQFRWYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c25-18-6-4-17(5-7-18)14-27-24(32)28-16-23(31)29-21-8-9-22(30-12-2-1-3-13-30)19-10-11-26-15-20(19)21/h4-11,15H,1-3,12-14,16H2,(H,29,31)(H2,27,28,32).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is sourced from PubChem (CID 37314134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).