(3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one

C22H26N2O3 — CID 118207355

IUPAC(3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(O)cc1
InChIInChI=1S/C22H26N2O3/c25-19-5-1-16(2-6-19)15-24-14-11-21(22(24)27)23-12-9-18(10-13-23)17-3-7-20(26)8-4-17/h1-8,18,21,25-26H,9-15H2/t21-/m1/s1
InChIKeyHEZHOLUAZMQEBN-OAQYLSRUSA-N
MW366.46 g/mol
LogP3.08
Rot. Bonds4

About (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one

(3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 118207355) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID118207355
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(O)cc1
InChIInChI=1S/C22H26N2O3/c25-19-5-1-16(2-6-19)15-24-14-11-21(22(24)27)23-12-9-18(10-13-23)17-3-7-20(26)8-4-17/h1-8,18,21,25-26H,9-15H2/t21-/m1/s1
InChIKeyHEZHOLUAZMQEBN-OAQYLSRUSA-N
XLogP3.08
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one (CID 118207355) is (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one is O=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(O)cc1.
What is the InChIKey of (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is HEZHOLUAZMQEBN-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-19-5-1-16(2-6-19)15-24-14-11-21(22(24)27)23-12-9-18(10-13-23)17-3-7-20(26)8-4-17/h1-8,18,21,25-26H,9-15H2/t21-/m1/s1.
What are the key properties of (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
(3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 118207355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).