(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione

C19H18ClFN2O2 — CID 165424500

IUPAC(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESC[C@@H]1C(=O)N(Cc2ccccc2)CC(=O)N1Cc1cc(Cl)ccc1F
InChIInChI=1S/C19H18ClFN2O2/c1-13-19(25)22(10-14-5-3-2-4-6-14)12-18(24)23(13)11-15-9-16(20)7-8-17(15)21/h2-9,13H,10-12H2,1H3/t13-/m1/s1
InChIKeyNUDNLCUBDFGCFP-CYBMUJFWSA-N
MW360.82 g/mol
LogP3.24
Rot. Bonds4

About (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione

(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 165424500) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID165424500
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESC[C@@H]1C(=O)N(Cc2ccccc2)CC(=O)N1Cc1cc(Cl)ccc1F
InChIInChI=1S/C19H18ClFN2O2/c1-13-19(25)22(10-14-5-3-2-4-6-14)12-18(24)23(13)11-15-9-16(20)7-8-17(15)21/h2-9,13H,10-12H2,1H3/t13-/m1/s1
InChIKeyNUDNLCUBDFGCFP-CYBMUJFWSA-N
XLogP3.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(3S)-1-benzyl-4-[(2,6-difluoro-3-methylphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423919
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3S)-1,4,7-tribenzyl-3-methyl-10-prop-2-ynyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 177116281
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
(3S)-4-[(2-fluoro-3-methylphenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165423143
(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165418850
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165418043
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione (CID 165424500) is (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione is C[C@@H]1C(=O)N(Cc2ccccc2)CC(=O)N1Cc1cc(Cl)ccc1F.
What is the InChIKey of (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is NUDNLCUBDFGCFP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-13-19(25)22(10-14-5-3-2-4-6-14)12-18(24)23(13)11-15-9-16(20)7-8-17(15)21/h2-9,13H,10-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 360.82 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 165424500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).