(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione

C20H28N2O2 — CID 164689037

IUPAC(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
SMILESC[C@H]1C(=O)N(CCc2ccccc2)CC(=O)N1CC1CCCCC1
InChIInChI=1S/C20H28N2O2/c1-16-20(24)21(13-12-17-8-4-2-5-9-17)15-19(23)22(16)14-18-10-6-3-7-11-18/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3/t16-/m0/s1
InChIKeyWHBSYNKHJCCPRC-INIZCTEOSA-N
MW328.46 g/mol
LogP2.87
Rot. Bonds5

About (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione

(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione (PubChem CID 164689037) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
PubChem CID164689037
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
SMILESC[C@H]1C(=O)N(CCc2ccccc2)CC(=O)N1CC1CCCCC1
InChIInChI=1S/C20H28N2O2/c1-16-20(24)21(13-12-17-8-4-2-5-9-17)15-19(23)22(16)14-18-10-6-3-7-11-18/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3/t16-/m0/s1
InChIKeyWHBSYNKHJCCPRC-INIZCTEOSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3R)-4-(1,4-dioxepan-6-ylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione;formic acid
CID 166600136
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165424201
(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165425719
(3S)-3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-phenylethyl)piperazine-2,5-dione
CID 165421262
(3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione
CID 165428608
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165418043
(3S)-4-[(2-fluoro-3-methylphenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165423143
(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
CID 164691531
(3S)-1-[(2-chlorophenyl)methyl]-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165418539
(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione;formic acid
CID 166598811

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione?
The IUPAC name of (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione (CID 164689037) is (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione is C[C@H]1C(=O)N(CCc2ccccc2)CC(=O)N1CC1CCCCC1.
What is the InChIKey of (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione?
The InChIKey is WHBSYNKHJCCPRC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-20(24)21(13-12-17-8-4-2-5-9-17)15-19(23)22(16)14-18-10-6-3-7-11-18/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione?
(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione has a molecular weight of 328.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione is sourced from PubChem (CID 164689037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).