(3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one

C21H24N2O2 — CID 95813138

IUPAC(3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCN[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O
InChIInChI=1S/C21H24N2O2/c1-3-12-23-13-11-22-20(21(23)24)15-16-5-4-6-18(14-16)17-7-9-19(25-2)10-8-17/h3-10,14,20,22H,1,11-13,15H2,2H3/t20-/m1/s1
InChIKeyFHGSPWVHWOQDJX-HXUWFJFHSA-N
MW336.44 g/mol
LogP2.89
Rot. Bonds6

About (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one

(3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one (PubChem CID 95813138) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
PubChem CID95813138
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCN[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O
InChIInChI=1S/C21H24N2O2/c1-3-12-23-13-11-22-20(21(23)24)15-16-5-4-6-18(14-16)17-7-9-19(25-2)10-8-17/h3-10,14,20,22H,1,11-13,15H2,2H3/t20-/m1/s1
InChIKeyFHGSPWVHWOQDJX-HXUWFJFHSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 110252089
(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
CID 95813038
3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one
CID 116817312
(3S)-4-(2-methoxyacetyl)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 95811768
4-[(4-methoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250474
(3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one
CID 95813177
(3S)-1-methyl-3-[(4-phenylphenyl)methyl]piperazin-2-one
CID 95813127
(6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one
CID 92585340
6-[[3-(4-fluorophenyl)phenyl]methyl]-1-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-5-one
CID 110229956
(3S)-1-prop-2-enyl-4-(pyridine-4-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 124981099
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 110283203
ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
CID 110283016

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one?
The IUPAC name of (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one (CID 95813138) is (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one.
What is the SMILES notation for (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one?
The canonical SMILES for (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one is C=CCN1CCN[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O.
What is the InChIKey of (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one?
The InChIKey is FHGSPWVHWOQDJX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-12-23-13-11-22-20(21(23)24)15-16-5-4-6-18(14-16)17-7-9-19(25-2)10-8-17/h3-10,14,20,22H,1,11-13,15H2,2H3/t20-/m1/s1.
What are the key properties of (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one?
(3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one has a molecular weight of 336.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 95813138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).