N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide

C13H16N2O — CID 82584883

IUPACN-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide
SMILESO=C(NC1CNCc2ccccc21)C1CC1
InChIInChI=1S/C13H16N2O/c16-13(9-5-6-9)15-12-8-14-7-10-3-1-2-4-11(10)12/h1-4,9,12,14H,5-8H2,(H,15,16)
InChIKeyVSBBGTKCMOYWSL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.36
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide

N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide (PubChem CID 82584883) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide
PubChem CID82584883
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide
SMILESO=C(NC1CNCc2ccccc21)C1CC1
InChIInChI=1S/C13H16N2O/c16-13(9-5-6-9)15-12-8-14-7-10-3-1-2-4-11(10)12/h1-4,9,12,14H,5-8H2,(H,15,16)
InChIKeyVSBBGTKCMOYWSL-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
CID 82584887
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide
CID 82584968
N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 43652010
N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262218
N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 114546203
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 83021312
N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262075
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide (CID 82584883) is N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide is O=C(NC1CNCc2ccccc21)C1CC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide?
The InChIKey is VSBBGTKCMOYWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(9-5-6-9)15-12-8-14-7-10-3-1-2-4-11(10)12/h1-4,9,12,14H,5-8H2,(H,15,16).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide?
N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide has a molecular weight of 216.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 82584883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).