(3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one

C21H23F2N3O2 — CID 135305539

IUPAC(3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1[C@H](N2CCN(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H23F2N3O2/c22-18-6-1-15(13-19(18)23)14-26-8-7-20(21(26)28)25-11-9-24(10-12-25)16-2-4-17(27)5-3-16/h1-6,13,20,27H,7-12,14H2/t20-/m1/s1
InChIKeyLUZVZEOYOWMSAD-HXUWFJFHSA-N
MW387.43 g/mol
LogP2.59
Rot. Bonds4

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

(3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 135305539) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is (3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID135305539
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name(3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1[C@H](N2CCN(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H23F2N3O2/c22-18-6-1-15(13-19(18)23)14-26-8-7-20(21(26)28)25-11-9-24(10-12-25)16-2-4-17(27)5-3-16/h1-6,13,20,27H,7-12,14H2/t20-/m1/s1
InChIKeyLUZVZEOYOWMSAD-HXUWFJFHSA-N
XLogP2.59
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of (3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one (CID 135305539) is (3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one is O=C1[C@H](N2CCN(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of (3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is LUZVZEOYOWMSAD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c22-18-6-1-15(13-19(18)23)14-26-8-7-20(21(26)28)25-11-9-24(10-12-25)16-2-4-17(27)5-3-16/h1-6,13,20,27H,7-12,14H2/t20-/m1/s1.
What are the key properties of (3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one?
(3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 387.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 135305539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).