6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

C16H26N2O3 — CID 65170196

IUPAC6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C2CC2)N(CCCC2CCCO2)C1=O
InChIInChI=1S/C16H26N2O3/c1-11-14(19)18(9-3-5-13-6-4-10-21-13)16(2,12-7-8-12)15(20)17-11/h11-13H,3-10H2,1-2H3,(H,17,20)
InChIKeyPFXMPEAFNWEKLL-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.46
Rot. Bonds5

About 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (PubChem CID 65170196) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
PubChem CID65170196
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C2CC2)N(CCCC2CCCO2)C1=O
InChIInChI=1S/C16H26N2O3/c1-11-14(19)18(9-3-5-13-6-4-10-21-13)16(2,12-7-8-12)15(20)17-11/h11-13H,3-10H2,1-2H3,(H,17,20)
InChIKeyPFXMPEAFNWEKLL-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-3,6-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83168999
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione
CID 65096606
6-cyclopropyl-3,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64874919
1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874522
1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 65165016
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
CID 66076059
6-cyclopropyl-3,3,6-trimethyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64903543
6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170198
3-tert-butyl-6,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 65170251
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (CID 65170196) is 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is CC1NC(=O)C(C)(C2CC2)N(CCCC2CCCO2)C1=O.
What is the InChIKey of 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The InChIKey is PFXMPEAFNWEKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-14(19)18(9-3-5-13-6-4-10-21-13)16(2,12-7-8-12)15(20)17-11/h11-13H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione has a molecular weight of 294.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is sourced from PubChem (CID 65170196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).