(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one

C22H25NO3 — CID 10473148

IUPAC(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C22H25NO3/c1-25-20-12-11-16(13-21(20)26-19-9-5-6-10-19)17-14-22(24)23(15-17)18-7-3-2-4-8-18/h2-4,7-8,11-13,17,19H,5-6,9-10,14-15H2,1H3/t17-/m0/s1
InChIKeyQXSLTLYPUDAKFY-KRWDZBQOSA-N
MW351.45 g/mol
LogP4.54
Rot. Bonds5

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

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one (PubChem CID 10473148) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one
PubChem CID10473148
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C22H25NO3/c1-25-20-12-11-16(13-21(20)26-19-9-5-6-10-19)17-14-22(24)23(15-17)18-7-3-2-4-8-18/h2-4,7-8,11-13,17,19H,5-6,9-10,14-15H2,1H3/t17-/m0/s1
InChIKeyQXSLTLYPUDAKFY-KRWDZBQOSA-N
XLogP4.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one (CID 10473148) is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(c3ccccc3)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one?
The InChIKey is QXSLTLYPUDAKFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25NO3/c1-25-20-12-11-16(13-21(20)26-19-9-5-6-10-19)17-14-22(24)23(15-17)18-7-3-2-4-8-18/h2-4,7-8,11-13,17,19H,5-6,9-10,14-15H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one?
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 10473148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).