N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide

C16H22FN3O — CID 120882858

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc3c(c2F)CCNC3)CC1
InChIInChI=1S/C16H22FN3O/c1-20-8-5-11(6-9-20)16(21)19-14-3-2-12-10-18-7-4-13(12)15(14)17/h2-3,11,18H,4-10H2,1H3,(H,19,21)
InChIKeyADXGQYAWHHSGEN-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.75
Rot. Bonds2

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide (PubChem CID 120882858) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
PubChem CID120882858
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc3c(c2F)CCNC3)CC1
InChIInChI=1S/C16H22FN3O/c1-20-8-5-11(6-9-20)16(21)19-14-3-2-12-10-18-7-4-13(12)15(14)17/h2-3,11,18H,4-10H2,1H3,(H,19,21)
InChIKeyADXGQYAWHHSGEN-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
1-butanoyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-4-carboxamide
CID 120881672
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 120882102
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide
CID 120883246
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120881024
1-(2,2-dimethylpropanoyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-3-carboxamide
CID 120881624
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-oxopiperidine-3-carboxamide
CID 120883928
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 120881587
1-tert-butyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120882525
1-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120881653
1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120880947

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide (CID 120882858) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccc3c(c2F)CCNC3)CC1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide?
The InChIKey is ADXGQYAWHHSGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-20-8-5-11(6-9-20)16(21)19-14-3-2-12-10-18-7-4-13(12)15(14)17/h2-3,11,18H,4-10H2,1H3,(H,19,21).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120882858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).