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

C17H24N2O2 — CID 104558719

IUPACN-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(NCC1CCCC1CO)c1cccc2c1CCNC2
InChIInChI=1S/C17H24N2O2/c20-11-14-5-1-3-12(14)10-19-17(21)16-6-2-4-13-9-18-8-7-15(13)16/h2,4,6,12,14,18,20H,1,3,5,7-11H2,(H,19,21)
InChIKeyISTNWEHAGMCFGA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.47
Rot. Bonds4

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

N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558719) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558719
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(NCC1CCCC1CO)c1cccc2c1CCNC2
InChIInChI=1S/C17H24N2O2/c20-11-14-5-1-3-12(14)10-19-17(21)16-6-2-4-13-9-18-8-7-15(13)16/h2,4,6,12,14,18,20H,1,3,5,7-11H2,(H,19,21)
InChIKeyISTNWEHAGMCFGA-UHFFFAOYSA-N
XLogP1.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107317575
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558596
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107222001
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-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558339
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426618
N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558513

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558719) is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(NCC1CCCC1CO)c1cccc2c1CCNC2.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is ISTNWEHAGMCFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-11-14-5-1-3-12(14)10-19-17(21)16-6-2-4-13-9-18-8-7-15(13)16/h2,4,6,12,14,18,20H,1,3,5,7-11H2,(H,19,21).
What are the key properties of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).