N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C26H32FN3O2 — CID 32764270

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C26H32FN3O2/c1-26(2,30-16-13-19-5-3-4-6-22(19)17-30)18-28-24(31)20-11-14-29(15-12-20)25(32)21-7-9-23(27)10-8-21/h3-10,20H,11-18H2,1-2H3,(H,28,31)
InChIKeyNWPGGGDHSSDAOW-UHFFFAOYSA-N
MW437.56 g/mol
LogP3.63
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 32764270) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID32764270
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C26H32FN3O2/c1-26(2,30-16-13-19-5-3-4-6-22(19)17-30)18-28-24(31)20-11-14-29(15-12-20)25(32)21-7-9-23(27)10-8-21/h3-10,20H,11-18H2,1-2H3,(H,28,31)
InChIKeyNWPGGGDHSSDAOW-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 32767562
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]piperidine-3-carboxamide
CID 119849996
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]piperidine-3-carboxamide;dihydrochloride
CID 119849995
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97436612
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2,2-dimethylpropyl)urea
CID 112840167
cis-(1S,3R)-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065417
2-(cyclopropylmethylamino)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide
CID 119850036
1-(4-fluorobenzoyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34757635
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide;dihydrochloride
CID 119850045
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea
CID 110892559
N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 8923714

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 32764270) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is CC(C)(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is NWPGGGDHSSDAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-26(2,30-16-13-19-5-3-4-6-22(19)17-30)18-28-24(31)20-11-14-29(15-12-20)25(32)21-7-9-23(27)10-8-21/h3-10,20H,11-18H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 437.56 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 32764270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).