(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione

C20H28N2O2 — CID 165426700

IUPAC(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)N(Cc2ccccc2)CC(=O)N1CCC1CCCCC1
InChIInChI=1S/C20H28N2O2/c1-16-20(24)21(14-18-10-6-3-7-11-18)15-19(23)22(16)13-12-17-8-4-2-5-9-17/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3/t16-/m0/s1
InChIKeyLNCIFCBVSFCVSW-INIZCTEOSA-N
MW328.46 g/mol
LogP3.22
Rot. Bonds5

About (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione

(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione (PubChem CID 165426700) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
PubChem CID165426700
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)N(Cc2ccccc2)CC(=O)N1CCC1CCCCC1
InChIInChI=1S/C20H28N2O2/c1-16-20(24)21(14-18-10-6-3-7-11-18)15-19(23)22(16)13-12-17-8-4-2-5-9-17/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3/t16-/m0/s1
InChIKeyLNCIFCBVSFCVSW-INIZCTEOSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165418539
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 164689037
(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165418850
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(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
(3S)-1,4,7-tribenzyl-3-methyl-10-prop-2-ynyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 177116281
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione (CID 165426700) is (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione is C[C@H]1C(=O)N(Cc2ccccc2)CC(=O)N1CCC1CCCCC1.
What is the InChIKey of (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione?
The InChIKey is LNCIFCBVSFCVSW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-20(24)21(14-18-10-6-3-7-11-18)15-19(23)22(16)13-12-17-8-4-2-5-9-17/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione?
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione has a molecular weight of 328.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 165426700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).