N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide

C29H32FN3O2 — CID 69327828

IUPACN-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide
SMILESO=C(CC1CCCCN1)Nc1ccc(CC2c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1
InChIInChI=1S/C29H32FN3O2/c30-22-6-10-25(11-7-22)33-16-14-21-18-26(34)12-13-27(21)28(33)17-20-4-8-23(9-5-20)32-29(35)19-24-3-1-2-15-31-24/h4-13,18,24,28,31,34H,1-3,14-17,19H2,(H,32,35)
InChIKeyTVMPYMUYVXISJF-UHFFFAOYSA-N
MW473.59 g/mol
LogP5.35
Rot. Bonds6

About N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide

N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide (PubChem CID 69327828) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide
PubChem CID69327828
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC NameN-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide
SMILESO=C(CC1CCCCN1)Nc1ccc(CC2c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1
InChIInChI=1S/C29H32FN3O2/c30-22-6-10-25(11-7-22)33-16-14-21-18-26(34)12-13-27(21)28(33)17-20-4-8-23(9-5-20)32-29(35)19-24-3-1-2-15-31-24/h4-13,18,24,28,31,34H,1-3,14-17,19H2,(H,32,35)
InChIKeyTVMPYMUYVXISJF-UHFFFAOYSA-N
XLogP5.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-1-[[3-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 69314340
2-[[2-(4-fluorophenyl)-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]acetamide
CID 69317000
2-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-1-ylacetamide
CID 69314421
ethyl (E)-3-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]prop-2-enoate
CID 58978015
2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 69311695
2-(4-fluorophenyl)-1-[[4-[1-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 23440905
2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 23440902
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61365614
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide?
The IUPAC name of N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide (CID 69327828) is N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide.
What is the SMILES notation for N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide?
The canonical SMILES for N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide is O=C(CC1CCCCN1)Nc1ccc(CC2c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide?
The InChIKey is TVMPYMUYVXISJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c30-22-6-10-25(11-7-22)33-16-14-21-18-26(34)12-13-27(21)28(33)17-20-4-8-23(9-5-20)32-29(35)19-24-3-1-2-15-31-24/h4-13,18,24,28,31,34H,1-3,14-17,19H2,(H,32,35).
What are the key properties of N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide?
N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide has a molecular weight of 473.59 g/mol, XLogP of 5.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide is sourced from PubChem (CID 69327828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).