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

C15H26N2O2 — CID 53299358

IUPAC(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
SMILESCCCCN1C(=O)C(=O)NC[C@@H]1CC1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-3-9-17-13(11-16-14(18)15(17)19)10-12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyFITSJZUIZLPNMS-ZDUSSCGKSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds5

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

(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione (PubChem CID 53299358) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
PubChem CID53299358
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
SMILESCCCCN1C(=O)C(=O)NC[C@@H]1CC1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-3-9-17-13(11-16-14(18)15(17)19)10-12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyFITSJZUIZLPNMS-ZDUSSCGKSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
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

CID 23646030
CID 23646030
CID 2959553
CID 2959553
CID 16286794
CID 16286794
CID 11266019
CID 11266019
CID 49853579
CID 49853579
CID 16745886
CID 16745886
CID 23640882
CID 23640882
CID 23641167
CID 23641167
CID 44398665
CID 44398665
CID 45281028
CID 45281028
CID 16338852
CID 16338852
CID 10376940
CID 10376940

Frequently Asked Questions

What is the IUPAC name of (6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione?
The IUPAC name of (6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione (CID 53299358) is (6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione.
What is the SMILES notation for (6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione?
The canonical SMILES for (6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione is CCCCN1C(=O)C(=O)NC[C@@H]1CC1CCCCC1.
What is the InChIKey of (6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione?
The InChIKey is FITSJZUIZLPNMS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-9-17-13(11-16-14(18)15(17)19)10-12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione?
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione is sourced from PubChem (CID 53299358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).