N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C15H21N3O — CID 83021312

IUPACN-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NN1CCCCC1)C1CNCc2ccccc21
InChIInChI=1S/C15H21N3O/c19-15(17-18-8-4-1-5-9-18)14-11-16-10-12-6-2-3-7-13(12)14/h2-3,6-7,14,16H,1,4-5,8-11H2,(H,17,19)
InChIKeyQXVPAZUMFVIQTR-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.39
Rot. Bonds2

About N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 83021312) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID83021312
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NN1CCCCC1)C1CNCc2ccccc21
InChIInChI=1S/C15H21N3O/c19-15(17-18-8-4-1-5-9-18)14-11-16-10-12-6-2-3-7-13(12)14/h2-3,6-7,14,16H,1,4-5,8-11H2,(H,17,19)
InChIKeyQXVPAZUMFVIQTR-UHFFFAOYSA-N
XLogP1.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260359
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
(3S)-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 81121194
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
CID 65262155
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82722789
N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262068
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262406
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260755

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 83021312) is N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(NN1CCCCC1)C1CNCc2ccccc21.
What is the InChIKey of N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is QXVPAZUMFVIQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(17-18-8-4-1-5-9-18)14-11-16-10-12-6-2-3-7-13(12)14/h2-3,6-7,14,16H,1,4-5,8-11H2,(H,17,19).
What are the key properties of N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 83021312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).