2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide

C17H23N3O3 — CID 142261960

IUPAC2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)CN[C@H](C(=O)N1CCCCC1)C2
InChIInChI=1S/C17H23N3O3/c18-16(21)11-23-14-5-4-12-9-15(19-10-13(12)8-14)17(22)20-6-2-1-3-7-20/h4-5,8,15,19H,1-3,6-7,9-11H2,(H2,18,21)/t15-/m0/s1
InChIKeyGIKNVWAMXYSZBL-HNNXBMFYSA-N
MW317.39 g/mol
LogP0.58
Rot. Bonds4

About 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide

2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide (PubChem CID 142261960) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide
PubChem CID142261960
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)CN[C@H](C(=O)N1CCCCC1)C2
InChIInChI=1S/C17H23N3O3/c18-16(21)11-23-14-5-4-12-9-15(19-10-13(12)8-14)17(22)20-6-2-1-3-7-20/h4-5,8,15,19H,1-3,6-7,9-11H2,(H2,18,21)/t15-/m0/s1
InChIKeyGIKNVWAMXYSZBL-HNNXBMFYSA-N
XLogP0.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
6-(carboxymethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13406815
(2S)-1-[(3S)-7-propoxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carbonitrile
CID 59996155
N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide
CID 40870441
[7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 10344137
(2R)-1-[(3S)-7-[2-(2-ethoxyethoxy)ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carbonitrile
CID 91228353
piperazin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 93101281
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281
benzyl 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazine-1-carboxylate
CID 58622394
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide?
The IUPAC name of 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide (CID 142261960) is 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide.
What is the SMILES notation for 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide?
The canonical SMILES for 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide is NC(=O)COc1ccc2c(c1)CN[C@H](C(=O)N1CCCCC1)C2.
What is the InChIKey of 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide?
The InChIKey is GIKNVWAMXYSZBL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-16(21)11-23-14-5-4-12-9-15(19-10-13(12)8-14)17(22)20-6-2-1-3-7-20/h4-5,8,15,19H,1-3,6-7,9-11H2,(H2,18,21)/t15-/m0/s1.
What are the key properties of 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide?
2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide is sourced from PubChem (CID 142261960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).