N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H23N3O2 — CID 79082206

IUPACN-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCN1CCOC(CNC(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C16H23N3O2/c1-19-6-7-21-13(11-19)9-18-16(20)15-10-17-8-12-4-2-3-5-14(12)15/h2-5,13,15,17H,6-11H2,1H3,(H,18,20)
InChIKeyPQEZLMULDSABHO-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.32
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 79082206) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID79082206
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCN1CCOC(CNC(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C16H23N3O2/c1-19-6-7-21-13(11-19)9-18-16(20)15-10-17-8-12-4-2-3-5-14(12)15/h2-5,13,15,17H,6-11H2,1H3,(H,18,20)
InChIKeyPQEZLMULDSABHO-UHFFFAOYSA-N
XLogP0.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260755
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 94825344
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79083173
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
5-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperidine-3-carboxamide
CID 79071217
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166239437
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
N-[(4-methylmorpholin-2-yl)methyl]-3,3-diphenylpropanamide
CID 49094292
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 79082206) is N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CN1CCOC(CNC(=O)C2CNCc3ccccc32)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is PQEZLMULDSABHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-6-7-21-13(11-19)9-18-16(20)15-10-17-8-12-4-2-3-5-14(12)15/h2-5,13,15,17H,6-11H2,1H3,(H,18,20).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 79082206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).