(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one

C20H23FN2O — CID 93290632

IUPAC(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCCc1ccccc1N1CCN(Cc2ccccc2F)[C@H](C)C1=O
InChIInChI=1S/C20H23FN2O/c1-3-16-8-5-7-11-19(16)23-13-12-22(15(2)20(23)24)14-17-9-4-6-10-18(17)21/h4-11,15H,3,12-14H2,1-2H3/t15-/m1/s1
InChIKeyMWRNEEQQNNVUJB-OAHLLOKOSA-N
MW326.42 g/mol
LogP3.63
Rot. Bonds4

About (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one

(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 93290632) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
PubChem CID93290632
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCCc1ccccc1N1CCN(Cc2ccccc2F)[C@H](C)C1=O
InChIInChI=1S/C20H23FN2O/c1-3-16-8-5-7-11-19(16)23-13-12-22(15(2)20(23)24)14-17-9-4-6-10-18(17)21/h4-11,15H,3,12-14H2,1-2H3/t15-/m1/s1
InChIKeyMWRNEEQQNNVUJB-OAHLLOKOSA-N
XLogP3.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035875
1-(4-tert-butylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035826
(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 93322662
(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290605
(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321370
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 93322523
3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one
CID 42847308
1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716560
ethyl 2-[4-(2-fluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716589
ethyl 2-[(2R)-4-(2-fluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 93321113
4-benzyl-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 24716306
4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24719502

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one (CID 93290632) is (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one is CCc1ccccc1N1CCN(Cc2ccccc2F)[C@H](C)C1=O.
What is the InChIKey of (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is MWRNEEQQNNVUJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-3-16-8-5-7-11-19(16)23-13-12-22(15(2)20(23)24)14-17-9-4-6-10-18(17)21/h4-11,15H,3,12-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one?
(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 326.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 93290632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).