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

C18H30N2O2 — CID 23641167

IUPAC(6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione
SMILESO=C1NC[C@H](CC2CCCCC2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C18H30N2O2/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/h14-16H,1-13H2,(H,19,21)/t16-/m0/s1
InChIKeyNMYFVVLOGICRCZ-INIZCTEOSA-N
MW306.45 g/mol
LogP2.86
Rot. Bonds4

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

(6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione (PubChem CID 23641167) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione
PubChem CID23641167
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione
SMILESO=C1NC[C@H](CC2CCCCC2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C18H30N2O2/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/h14-16H,1-13H2,(H,19,21)/t16-/m0/s1
InChIKeyNMYFVVLOGICRCZ-INIZCTEOSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione?
The IUPAC name of (6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione (CID 23641167) is (6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione.
What is the SMILES notation for (6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione?
The canonical SMILES for (6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione is O=C1NC[C@H](CC2CCCCC2)N(CC2CCCCC2)C1=O.
What is the InChIKey of (6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione?
The InChIKey is NMYFVVLOGICRCZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N2O2/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/h14-16H,1-13H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione?
(6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione has a molecular weight of 306.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione is sourced from PubChem (CID 23641167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).