(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione

C15H27N3O2 — CID 16745886

IUPAC(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
SMILESNCCCC[C@H]1CNC(=O)C(=O)N1CC1CCCCC1
InChIInChI=1S/C15H27N3O2/c16-9-5-4-8-13-10-17-14(19)15(20)18(13)11-12-6-2-1-3-7-12/h12-13H,1-11,16H2,(H,17,19)/t13-/m0/s1
InChIKeyUUUAJHHBWRDCDT-ZDUSSCGKSA-N
MW281.40 g/mol
LogP1.02
Rot. Bonds6

About (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione

(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione (PubChem CID 16745886) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
PubChem CID16745886
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
SMILESNCCCC[C@H]1CNC(=O)C(=O)N1CC1CCCCC1
InChIInChI=1S/C15H27N3O2/c16-9-5-4-8-13-10-17-14(19)15(20)18(13)11-12-6-2-1-3-7-12/h12-13H,1-11,16H2,(H,17,19)/t13-/m0/s1
InChIKeyUUUAJHHBWRDCDT-ZDUSSCGKSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione?
The IUPAC name of (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione (CID 16745886) is (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione.
What is the SMILES notation for (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione?
The canonical SMILES for (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione is NCCCC[C@H]1CNC(=O)C(=O)N1CC1CCCCC1.
What is the InChIKey of (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione?
The InChIKey is UUUAJHHBWRDCDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-9-5-4-8-13-10-17-14(19)15(20)18(13)11-12-6-2-1-3-7-12/h12-13H,1-11,16H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione?
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione has a molecular weight of 281.40 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione is sourced from PubChem (CID 16745886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).