(6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione

C18H32N2O2 — CID 53299343

IUPAC(6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
SMILESCCC(C)[C@H]1CNC(=O)C(=O)N1CCCCC1CCCCC1
InChIInChI=1S/C18H32N2O2/c1-3-14(2)16-13-19-17(21)18(22)20(16)12-8-7-11-15-9-5-4-6-10-15/h14-16H,3-13H2,1-2H3,(H,19,21)/t14?,16-/m1/s1
InChIKeyAMNMWHBUQNRYJD-BZSJEYESSA-N
MW308.47 g/mol
LogP3.11
Rot. Bonds7

About (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione

(6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione (PubChem CID 53299343) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
PubChem CID53299343
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
SMILESCCC(C)[C@H]1CNC(=O)C(=O)N1CCCCC1CCCCC1
InChIInChI=1S/C18H32N2O2/c1-3-14(2)16-13-19-17(21)18(22)20(16)12-8-7-11-15-9-5-4-6-10-15/h14-16H,3-13H2,1-2H3,(H,19,21)/t14?,16-/m1/s1
InChIKeyAMNMWHBUQNRYJD-BZSJEYESSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(4-methyl-1-piperidinyl)acetamide hydrochloride
CID 2959553
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
2-(1,4-diazaspiro[5.5]undecan-4-yl)-N-methyl-N-pentylacetamide
CID 49853579
Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
(2S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropylamino)pentanoyl]amino]pentanoyl]amino]-4-methylpentanamide
CID 11744611
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 16745886
(6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione
CID 23641167
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-2-(3-cyclohexylpropylamino)-2-methylpentanamide
CID 44306672
(S)-2-{(S)-2-[2-(3-Cyclohexyl-propylamino)-2-methyl-propionylamino]-pentanoylamino}-4-methyl-pentanoic acid amide
CID 44307119
2-(Cyano-methyl-amino)-N-((S)-2-cyclohexyl-1-methyl-ethyl)-acetamide
CID 44398665
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358

Frequently Asked Questions

What is the IUPAC name of (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione?
The IUPAC name of (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione (CID 53299343) is (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione.
What is the SMILES notation for (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione?
The canonical SMILES for (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione is CCC(C)[C@H]1CNC(=O)C(=O)N1CCCCC1CCCCC1.
What is the InChIKey of (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione?
The InChIKey is AMNMWHBUQNRYJD-BZSJEYESSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-14(2)16-13-19-17(21)18(22)20(16)12-8-7-11-15-9-5-4-6-10-15/h14-16H,3-13H2,1-2H3,(H,19,21)/t14?,16-/m1/s1.
What are the key properties of (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione?
(6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione has a molecular weight of 308.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione is sourced from PubChem (CID 53299343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).