1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C21H29N3O2 — CID 3241136

IUPAC1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H29N3O2/c25-20-13-18(15-24(20)19-7-3-4-8-19)21(26)22-10-12-23-11-9-16-5-1-2-6-17(16)14-23/h1-2,5-6,18-19H,3-4,7-15H2,(H,22,26)
InChIKeyPONUMWZQSDCKKP-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.95
Rot. Bonds5

About 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3241136) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3241136
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H29N3O2/c25-20-13-18(15-24(20)19-7-3-4-8-19)21(26)22-10-12-23-11-9-16-5-1-2-6-17(16)14-23/h1-2,5-6,18-19H,3-4,7-15H2,(H,22,26)
InChIKeyPONUMWZQSDCKKP-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 3241136) is 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCN1CCc2ccccc2C1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PONUMWZQSDCKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20-13-18(15-24(20)19-7-3-4-8-19)21(26)22-10-12-23-11-9-16-5-1-2-6-17(16)14-23/h1-2,5-6,18-19H,3-4,7-15H2,(H,22,26).
What are the key properties of 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3241136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).