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

C17H24N2O — CID 104558596

IUPACN-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC1(CNC(=O)c2cccc3c2CCNC3)CCCC1
InChIInChI=1S/C17H24N2O/c1-17(8-2-3-9-17)12-19-16(20)15-6-4-5-13-11-18-10-7-14(13)15/h4-6,18H,2-3,7-12H2,1H3,(H,19,20)
InChIKeyRWQMHXNGTACOPK-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.64
Rot. Bonds3

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

N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558596) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558596
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC1(CNC(=O)c2cccc3c2CCNC3)CCCC1
InChIInChI=1S/C17H24N2O/c1-17(8-2-3-9-17)12-19-16(20)15-6-4-5-13-11-18-10-7-14(13)15/h4-6,18H,2-3,7-12H2,1H3,(H,19,20)
InChIKeyRWQMHXNGTACOPK-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558787
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558513
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154
2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)propanoic acid
CID 104558852
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107317575
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
2-[1-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)cyclobutyl]acetic acid
CID 104558779
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558719

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558596) is N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CC1(CNC(=O)c2cccc3c2CCNC3)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is RWQMHXNGTACOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(8-2-3-9-17)12-19-16(20)15-6-4-5-13-11-18-10-7-14(13)15/h4-6,18H,2-3,7-12H2,1H3,(H,19,20).
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).