1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one

C29H31FN2O3 — CID 118207512

IUPAC1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CC[C@H](c3ccc(OCc4ccccc4)cc3)[C@H](O)C2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C29H31FN2O3/c30-24-10-6-21(7-11-24)18-32-17-15-27(29(32)34)31-16-14-26(28(33)19-31)23-8-12-25(13-9-23)35-20-22-4-2-1-3-5-22/h1-13,26-28,33H,14-20H2/t26-,27?,28-/m1/s1
InChIKeyIUNHNXOOCRWRNT-QBYFTLAFSA-N
MW474.58 g/mol
LogP4.36
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 118207512) has the molecular formula C29H31FN2O3 and a molecular weight of 474.58 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID118207512
Molecular FormulaC29H31FN2O3
Molecular Weight474.58 g/mol
Exact Mass474.23
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CC[C@H](c3ccc(OCc4ccccc4)cc3)[C@H](O)C2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C29H31FN2O3/c30-24-10-6-21(7-11-24)18-32-17-15-27(29(32)34)31-16-14-26(28(33)19-31)23-8-12-25(13-9-23)35-20-22-4-2-1-3-5-22/h1-13,26-28,33H,14-20H2/t26-,27?,28-/m1/s1
InChIKeyIUNHNXOOCRWRNT-QBYFTLAFSA-N
XLogP4.36
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one (CID 118207512) is 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one is O=C1C(N2CC[C@H](c3ccc(OCc4ccccc4)cc3)[C@H](O)C2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is IUNHNXOOCRWRNT-QBYFTLAFSA-N. The full InChI is InChI=1S/C29H31FN2O3/c30-24-10-6-21(7-11-24)18-32-17-15-27(29(32)34)31-16-14-26(28(33)19-31)23-8-12-25(13-9-23)35-20-22-4-2-1-3-5-22/h1-13,26-28,33H,14-20H2/t26-,27?,28-/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 474.58 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 118207512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).