1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide

C16H21N3O2 — CID 104557882

IUPAC1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc3c2CCNC3)CC1
InChIInChI=1S/C16H21N3O2/c17-15(20)11-5-8-19(9-6-11)16(21)14-3-1-2-12-10-18-7-4-13(12)14/h1-3,11,18H,4-10H2,(H2,17,20)
InChIKeyYYBYJLOBJXCOCP-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.67
Rot. Bonds2

About 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide

1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide (PubChem CID 104557882) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide
PubChem CID104557882
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc3c2CCNC3)CC1
InChIInChI=1S/C16H21N3O2/c17-15(20)11-5-8-19(9-6-11)16(21)14-3-1-2-12-10-18-7-4-13(12)14/h1-3,11,18H,4-10H2,(H2,17,20)
InChIKeyYYBYJLOBJXCOCP-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104558943
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 167825296
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612626
2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104558437
(4-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612615
1-(3,4-dihydro-1H-isochromene-8-carbonyl)piperidine-4-carboxylic acid
CID 154798587
2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883392
(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610702
N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide
CID 87154170
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide (CID 104557882) is 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cccc3c2CCNC3)CC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is YYBYJLOBJXCOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-15(20)11-5-8-19(9-6-11)16(21)14-3-1-2-12-10-18-7-4-13(12)14/h1-3,11,18H,4-10H2,(H2,17,20).
What are the key properties of 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide?
1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 104557882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).