(3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione

C15H27N3O2 — CID 131938554

IUPAC(3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione
SMILESCN(C)CCN1CC(=O)N[C@@H](CC2CCCCC2)C1=O
InChIInChI=1S/C15H27N3O2/c1-17(2)8-9-18-11-14(19)16-13(15(18)20)10-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyKJLFJYVJXDWVKX-ZDUSSCGKSA-N
MW281.40 g/mol
LogP0.85
Rot. Bonds5

About (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione

(3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione (PubChem CID 131938554) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione
PubChem CID131938554
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione
SMILESCN(C)CCN1CC(=O)N[C@@H](CC2CCCCC2)C1=O
InChIInChI=1S/C15H27N3O2/c1-17(2)8-9-18-11-14(19)16-13(15(18)20)10-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyKJLFJYVJXDWVKX-ZDUSSCGKSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione?
The IUPAC name of (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione (CID 131938554) is (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione?
The canonical SMILES for (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione is CN(C)CCN1CC(=O)N[C@@H](CC2CCCCC2)C1=O.
What is the InChIKey of (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione?
The InChIKey is KJLFJYVJXDWVKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-17(2)8-9-18-11-14(19)16-13(15(18)20)10-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione?
(3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 131938554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).