3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 64964582

IUPAC3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C(C)N1C(=O)C(C)(C2CC2)NC(=O)C1C(C)C
InChIInChI=1S/C17H30N2O2/c1-7-11(4)12(5)19-14(10(2)3)15(20)18-17(6,16(19)21)13-8-9-13/h10-14H,7-9H2,1-6H3,(H,18,20)
InChIKeyDVXUKXAZTIZTER-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds5

About 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64964582) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64964582
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C(C)N1C(=O)C(C)(C2CC2)NC(=O)C1C(C)C
InChIInChI=1S/C17H30N2O2/c1-7-11(4)12(5)19-14(10(2)3)15(20)18-17(6,16(19)21)13-8-9-13/h10-14H,7-9H2,1-6H3,(H,18,20)
InChIKeyDVXUKXAZTIZTER-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (CID 64964582) is 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is CCC(C)C(C)N1C(=O)C(C)(C2CC2)NC(=O)C1C(C)C.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is DVXUKXAZTIZTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-11(4)12(5)19-14(10(2)3)15(20)18-17(6,16(19)21)13-8-9-13/h10-14H,7-9H2,1-6H3,(H,18,20).
What are the key properties of 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64964582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).