N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C16H22N2O — CID 104558561

IUPACN-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC1CCCC1NC(=O)c1cccc2c1CCNC2
InChIInChI=1S/C16H22N2O/c1-11-4-2-7-15(11)18-16(19)14-6-3-5-12-10-17-9-8-13(12)14/h3,5-6,11,15,17H,2,4,7-10H2,1H3,(H,18,19)
InChIKeyGIUREEHHRLCAFS-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.25
Rot. Bonds2

About N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558561) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558561
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC1CCCC1NC(=O)c1cccc2c1CCNC2
InChIInChI=1S/C16H22N2O/c1-11-4-2-7-15(11)18-16(19)14-6-3-5-12-10-17-9-8-13(12)14/h3,5-6,11,15,17H,2,4,7-10H2,1H3,(H,18,19)
InChIKeyGIUREEHHRLCAFS-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107222001
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558804
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489103
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612513
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopentane-1-carboxamide
CID 107176797
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558719
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612626
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558561) is N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CC1CCCC1NC(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is GIUREEHHRLCAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-4-2-7-15(11)18-16(19)14-6-3-5-12-10-17-9-8-13(12)14/h3,5-6,11,15,17H,2,4,7-10H2,1H3,(H,18,19).
What are the key properties of N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).