6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione

C18H24N2O2 — CID 73319659

IUPAC6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione
SMILESO=C1NCC(Cc2ccccc2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C18H24N2O2/c21-17-18(22)20(13-15-9-5-2-6-10-15)16(12-19-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,21)
InChIKeySCEKHGFCEOZHCD-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.14
Rot. Bonds4

About 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione

6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione (PubChem CID 73319659) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione
PubChem CID73319659
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione
SMILESO=C1NCC(Cc2ccccc2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C18H24N2O2/c21-17-18(22)20(13-15-9-5-2-6-10-15)16(12-19-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,21)
InChIKeySCEKHGFCEOZHCD-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-benzyl-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281013
(6S)-6-benzyl-1-[[1-[2-(4-phenylphenyl)ethyl]piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281007
1-[4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]-4-(2-phenylethyl)piperazine-2,3-dione
CID 53301782
(5S)-4,5-dibenzyl-1-[4-[(2S)-1-(2-cyclohexylethyl)-5,6-dioxopiperazin-2-yl]butyl]piperazine-2,3-dione
CID 53299701
(5S)-5-benzyl-4-(cyclohexylmethyl)-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-[[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]piperazine-2,3-dione
CID 53300444
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
1-(cyclohexylmethyl)-4-[4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]piperazine-2,3-dione
CID 53301784
2-benzyl-1-(cyclohexylmethyl)piperidine
CID 71326049
(5S)-5-benzyl-1-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]imidazolidine-2-thione
CID 45281005
(4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopentylmethyl)-3-(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
CID 5327218
(5R)-4-(cyclohexylmethyl)-1-[(2R)-1-[(2S)-2-[(2,3-dioxo-6-propan-2-ylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-naphthalen-2-ylpropan-2-yl]-5-[(4-methylphenyl)methyl]piperazine-2,3-dione
CID 160537289

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione?
The IUPAC name of 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione (CID 73319659) is 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione.
What is the SMILES notation for 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione?
The canonical SMILES for 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione is O=C1NCC(Cc2ccccc2)N(CC2CCCCC2)C1=O.
What is the InChIKey of 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione?
The InChIKey is SCEKHGFCEOZHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17-18(22)20(13-15-9-5-2-6-10-15)16(12-19-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,21).
What are the key properties of 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione?
6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione has a molecular weight of 300.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione is sourced from PubChem (CID 73319659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).