3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide

C12H16N2O — CID 115105046

IUPAC3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
SMILESNC(=O)CCc1cccc2c1CCNC2
InChIInChI=1S/C12H16N2O/c13-12(15)5-4-9-2-1-3-10-8-14-7-6-11(9)10/h1-3,14H,4-8H2,(H2,13,15)
InChIKeyDZAXYYHHOPRQDP-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.75
Rot. Bonds3

About 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide

3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide (PubChem CID 115105046) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
PubChem CID115105046
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
SMILESNC(=O)CCc1cccc2c1CCNC2
InChIInChI=1S/C12H16N2O/c13-12(15)5-4-9-2-1-3-10-8-14-7-6-11(9)10/h1-3,14H,4-8H2,(H2,13,15)
InChIKeyDZAXYYHHOPRQDP-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3,4,5-tetrahydro-1H-2-benzazepin-6-yl)propanoic acid
CID 105474158
1-(azepan-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-one
CID 115105051
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306
5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358
N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104952
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104851
5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154866895
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104961
1-(azepan-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propan-1-one
CID 115104956
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
1-(4-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propan-1-one
CID 115104959

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
The IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide (CID 115105046) is 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
The canonical SMILES for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide is NC(=O)CCc1cccc2c1CCNC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
The InChIKey is DZAXYYHHOPRQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-12(15)5-4-9-2-1-3-10-8-14-7-6-11(9)10/h1-3,14H,4-8H2,(H2,13,15).
What are the key properties of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide has a molecular weight of 204.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide is sourced from PubChem (CID 115105046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).