(3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one

C17H17FN2O — CID 135364827

IUPAC(3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one
SMILESO=C1NC[C@@H](c2ccccc2)N[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c18-14-8-4-5-12(9-14)10-15-17(21)19-11-16(20-15)13-6-2-1-3-7-13/h1-9,15-16,20H,10-11H2,(H,19,21)/t15-,16+/m1/s1
InChIKeyUMTDEIRGYIGQTN-CVEARBPZSA-N
MW284.33 g/mol
LogP2.20
Rot. Bonds3

About (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one

(3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one (PubChem CID 135364827) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one.

Molecular Properties

Compound Name(3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one
PubChem CID135364827
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one
SMILESO=C1NC[C@@H](c2ccccc2)N[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c18-14-8-4-5-12(9-14)10-15-17(21)19-11-16(20-15)13-6-2-1-3-7-13/h1-9,15-16,20H,10-11H2,(H,19,21)/t15-,16+/m1/s1
InChIKeyUMTDEIRGYIGQTN-CVEARBPZSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-3-[(2-methylphenyl)methyl]-5-phenylpiperazin-2-one
CID 135364713
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393631
(4R)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393632
(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one
CID 132820338
(3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one
CID 132820346
(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one
CID 71351344
(5S)-5-benzylimidazolidin-4-one
CID 174267947
2,7-diphenyl-1,4-diazepan-5-one
CID 10264918
5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
CID 121493754
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one?
The IUPAC name of (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one (CID 135364827) is (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one.
What is the SMILES notation for (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one?
The canonical SMILES for (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one is O=C1NC[C@@H](c2ccccc2)N[C@@H]1Cc1cccc(F)c1.
What is the InChIKey of (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one?
The InChIKey is UMTDEIRGYIGQTN-CVEARBPZSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-8-4-5-12(9-14)10-15-17(21)19-11-16(20-15)13-6-2-1-3-7-13/h1-9,15-16,20H,10-11H2,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one?
(3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one has a molecular weight of 284.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one is sourced from PubChem (CID 135364827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).