1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione

C16H28N2O2 — CID 79452305

IUPAC1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C16H28N2O2/c1-7-10(2)18-13(19)12(15(3,4)5)17-14(20)16(18,6)11-8-9-11/h10-12H,7-9H2,1-6H3,(H,17,20)
InChIKeyMNVXITCCMYXBPC-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds3

About 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione

1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione (PubChem CID 79452305) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione
PubChem CID79452305
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C16H28N2O2/c1-7-10(2)18-13(19)12(15(3,4)5)17-14(20)16(18,6)11-8-9-11/h10-12H,7-9H2,1-6H3,(H,17,20)
InChIKeyMNVXITCCMYXBPC-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione (CID 79452305) is 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione is CCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1(C)C1CC1.
What is the InChIKey of 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The InChIKey is MNVXITCCMYXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-7-10(2)18-13(19)12(15(3,4)5)17-14(20)16(18,6)11-8-9-11/h10-12H,7-9H2,1-6H3,(H,17,20).
What are the key properties of 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione?
1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 79452305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).