N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

C26H31N3O4 — CID 95095852

IUPACN-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1OC)[C@@H](C(=O)N1CCCCC1)C2
InChIInChI=1S/C26H31N3O4/c1-3-24(30)27-20-12-11-18-16-22(26(32)28-13-7-4-8-14-28)29(17-19(18)15-20)25(31)21-9-5-6-10-23(21)33-2/h5-6,9-12,15,22H,3-4,7-8,13-14,16-17H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyYTKNJBJPOXHXOV-JOCHJYFZSA-N
MW449.55 g/mol
LogP3.62
Rot. Bonds5

About N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide (PubChem CID 95095852) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide.

Molecular Properties

Compound NameN-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
PubChem CID95095852
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1OC)[C@@H](C(=O)N1CCCCC1)C2
InChIInChI=1S/C26H31N3O4/c1-3-24(30)27-20-12-11-18-16-22(26(32)28-13-7-4-8-14-28)29(17-19(18)15-20)25(31)21-9-5-6-10-23(21)33-2/h5-6,9-12,15,22H,3-4,7-8,13-14,16-17H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyYTKNJBJPOXHXOV-JOCHJYFZSA-N
XLogP3.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide 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

N-[2-(2-methoxybenzoyl)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 53146445
N-[(3S)-2-(2-chlorobenzoyl)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 95095834
N-[(3R)-2-benzoyl-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 95095833
N-[(3S)-2-(3,4-dimethylbenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 95095845
N-[(3S)-2-(3,5-dimethylbenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 95095853
N-[(3S)-2-(2-chlorobenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 95095975
N-[2-(2-fluorobenzoyl)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 53146447
N-[(3S)-2-benzoyl-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 95095955
tert-butyl (3S)-3-(azepane-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 169157298
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 17466964
N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide
CID 42240655

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The IUPAC name of N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide (CID 95095852) is N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide.
What is the SMILES notation for N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The canonical SMILES for N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide is CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1OC)[C@@H](C(=O)N1CCCCC1)C2.
What is the InChIKey of N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The InChIKey is YTKNJBJPOXHXOV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-3-24(30)27-20-12-11-18-16-22(26(32)28-13-7-4-8-14-28)29(17-19(18)15-20)25(31)21-9-5-6-10-23(21)33-2/h5-6,9-12,15,22H,3-4,7-8,13-14,16-17H2,1-2H3,(H,27,30)/t22-/m1/s1.
What are the key properties of N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide has a molecular weight of 449.55 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-(2-methoxybenzoyl)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide is sourced from PubChem (CID 95095852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).