(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one

C21H24N2O3 — CID 15958397

IUPAC(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccncc3)C2)cc1OC1CCCC1
InChIInChI=1S/C21H24N2O3/c1-25-19-7-6-15(12-20(19)26-18-4-2-3-5-18)16-13-21(24)23(14-16)17-8-10-22-11-9-17/h6-12,16,18H,2-5,13-14H2,1H3/t16-/m0/s1
InChIKeyWJSLBDXTOJGHQS-INIZCTEOSA-N
MW352.43 g/mol
LogP3.93
Rot. Bonds5

About (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one (PubChem CID 15958397) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one
PubChem CID15958397
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccncc3)C2)cc1OC1CCCC1
InChIInChI=1S/C21H24N2O3/c1-25-19-7-6-15(12-20(19)26-18-4-2-3-5-18)16-13-21(24)23(14-16)17-8-10-22-11-9-17/h6-12,16,18H,2-5,13-14H2,1H3/t16-/m0/s1
InChIKeyWJSLBDXTOJGHQS-INIZCTEOSA-N
XLogP3.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one (CID 15958397) is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(c3ccncc3)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one?
The InChIKey is WJSLBDXTOJGHQS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-19-7-6-15(12-20(19)26-18-4-2-3-5-18)16-13-21(24)23(14-16)17-8-10-22-11-9-17/h6-12,16,18H,2-5,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one?
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 15958397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).