(6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one

C21H24FN3O2 — CID 137344270

IUPAC(6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one
SMILESCN(CC(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1)Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c1-24(12-17-7-9-18(22)10-8-17)15-21(27)25-13-19(23-20(26)14-25)11-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyVSYMEJYCXZUFPQ-IBGZPJMESA-N
MW369.44 g/mol
LogP1.83
Rot. Bonds6

About (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one

(6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one (PubChem CID 137344270) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one
PubChem CID137344270
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name(6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one
SMILESCN(CC(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1)Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c1-24(12-17-7-9-18(22)10-8-17)15-21(27)25-13-19(23-20(26)14-25)11-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyVSYMEJYCXZUFPQ-IBGZPJMESA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 137342622
4-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-cyclohexyl-N-methyl-4-oxobutanamide
CID 137341590
(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 137335175
2-[(4-fluorophenyl)methyl-methylamino]-1-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 166616117
(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one
CID 137334191
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
1-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-3-yl]imidazolidin-2-one
CID 56821742
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 120749378
(3R,4R)-1-[2-[benzyl(methyl)amino]acetyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 133128846
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97150357

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one (CID 137344270) is (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one is CN(CC(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1)Cc1ccc(F)cc1.
What is the InChIKey of (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one?
The InChIKey is VSYMEJYCXZUFPQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-24(12-17-7-9-18(22)10-8-17)15-21(27)25-13-19(23-20(26)14-25)11-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one?
(6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one has a molecular weight of 369.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one is sourced from PubChem (CID 137344270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).