6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione

C16H26N2O2 — CID 64884802

IUPAC6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione
SMILESCC(C)(C)C1C(=O)NC(C)(C2CC2)C(=O)N1CC1CC1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)12-13(19)17-16(4,11-7-8-11)14(20)18(12)9-10-5-6-10/h10-12H,5-9H2,1-4H3,(H,17,19)
InChIKeyZTNFAICXNUTVBY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds3

About 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione

6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione (PubChem CID 64884802) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione
PubChem CID64884802
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione
SMILESCC(C)(C)C1C(=O)NC(C)(C2CC2)C(=O)N1CC1CC1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)12-13(19)17-16(4,11-7-8-11)14(20)18(12)9-10-5-6-10/h10-12H,5-9H2,1-4H3,(H,17,19)
InChIKeyZTNFAICXNUTVBY-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64884996
6-tert-butyl-3-cyclopropyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64884994
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione
CID 64967746
3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885748
3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64901030
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332
3-cyclopropyl-1-(2-ethoxyethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64887283
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64887094
1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione
CID 107898352

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione (CID 64884802) is 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione is CC(C)(C)C1C(=O)NC(C)(C2CC2)C(=O)N1CC1CC1.
What is the InChIKey of 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione?
The InChIKey is ZTNFAICXNUTVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2,3)12-13(19)17-16(4,11-7-8-11)14(20)18(12)9-10-5-6-10/h10-12H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione?
6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64884802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).