(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one

C18H19FN2O — CID 93322662

IUPAC(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccccc2F)CCN1Cc1ccccc1
InChIInChI=1S/C18H19FN2O/c1-14-18(22)21(17-10-6-5-9-16(17)19)12-11-20(14)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3/t14-/m0/s1
InChIKeyNOMOWCPHXIHZSO-AWEZNQCLSA-N
MW298.36 g/mol
LogP3.06
Rot. Bonds3

About (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one

(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one (PubChem CID 93322662) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one
PubChem CID93322662
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccccc2F)CCN1Cc1ccccc1
InChIInChI=1S/C18H19FN2O/c1-14-18(22)21(17-10-6-5-9-16(17)19)12-11-20(14)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3/t14-/m0/s1
InChIKeyNOMOWCPHXIHZSO-AWEZNQCLSA-N
XLogP3.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 24716306
(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93321458
1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716560
(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93290632
4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24715820
4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24719502
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 93322523
4-benzyl-1-(4-bromophenyl)-3-methylpiperazin-2-one
CID 46035819
ethyl 2-[(2R)-4-(2-fluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 93321113
ethyl 2-[4-(2-fluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716589
(3R)-4-benzyl-1-(4-tert-butylphenyl)-3-methylpiperazin-2-one
CID 93321080
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569

Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one (CID 93322662) is (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one is C[C@H]1C(=O)N(c2ccccc2F)CCN1Cc1ccccc1.
What is the InChIKey of (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one?
The InChIKey is NOMOWCPHXIHZSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-14-18(22)21(17-10-6-5-9-16(17)19)12-11-20(14)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one?
(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one has a molecular weight of 298.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93322662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).