N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide

C24H29N3O2 — CID 155530997

IUPACN-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)N(c2nccc3c2CC=CC3)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C24H29N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,8-9,11-12,14,16,20,25H,4-7,10,13,15,17H2,1H3/t20-/m1/s1
InChIKeyUCYSKAAZKKWRJO-HXUWFJFHSA-N
MW391.51 g/mol
LogP3.46
Rot. Bonds6

About N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide

N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide (PubChem CID 155530997) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide
PubChem CID155530997
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC NameN-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)N(c2nccc3c2CC=CC3)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C24H29N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,8-9,11-12,14,16,20,25H,4-7,10,13,15,17H2,1H3/t20-/m1/s1
InChIKeyUCYSKAAZKKWRJO-HXUWFJFHSA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide?
The IUPAC name of N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide (CID 155530997) is N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide.
What is the SMILES notation for N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide?
The canonical SMILES for N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide is COc1ccc(CCC(=O)N(c2nccc3c2CC=CC3)[C@@H]2CCCNC2)cc1.
What is the InChIKey of N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide?
The InChIKey is UCYSKAAZKKWRJO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,8-9,11-12,14,16,20,25H,4-7,10,13,15,17H2,1H3/t20-/m1/s1.
What are the key properties of N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide?
N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide has a molecular weight of 391.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-dihydroisoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide is sourced from PubChem (CID 155530997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).