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

C15H22N2O2 — CID 107317575

IUPACN-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(NCCCCCO)c1cccc2c1CCNC2
InChIInChI=1S/C15H22N2O2/c18-10-3-1-2-8-17-15(19)14-6-4-5-12-11-16-9-7-13(12)14/h4-6,16,18H,1-3,7-11H2,(H,17,19)
InChIKeyOEFLREDVXVGGDC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.22
Rot. Bonds6

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

N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 107317575) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID107317575
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(NCCCCCO)c1cccc2c1CCNC2
InChIInChI=1S/C15H22N2O2/c18-10-3-1-2-8-17-15(19)14-6-4-5-12-11-16-9-7-13(12)14/h4-6,16,18H,1-3,7-11H2,(H,17,19)
InChIKeyOEFLREDVXVGGDC-UHFFFAOYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154
N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 106325156
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558476
2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)propanoic acid
CID 104558852
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558719
N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558596
N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558797
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-[(3-methyloxetan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558787
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 107317575) is N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(NCCCCCO)c1cccc2c1CCNC2.
What is the InChIKey of N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is OEFLREDVXVGGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-10-3-1-2-8-17-15(19)14-6-4-5-12-11-16-9-7-13(12)14/h4-6,16,18H,1-3,7-11H2,(H,17,19).
What are the key properties of N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 107317575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).