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

C17H30N2O2 — CID 64885748

IUPAC3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C2CC2)C(=O)N1CCC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-11(2)13-14(20)18-17(6,12-7-8-12)15(21)19(13)10-9-16(3,4)5/h11-13H,7-10H2,1-6H3,(H,18,20)
InChIKeyDSJDQQMEKUQCRX-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds4

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

3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64885748) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64885748
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C2CC2)C(=O)N1CCC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-11(2)13-14(20)18-17(6,12-7-8-12)15(21)19(13)10-9-16(3,4)5/h11-13H,7-10H2,1-6H3,(H,18,20)
InChIKeyDSJDQQMEKUQCRX-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64885748) is 3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NC(C)(C2CC2)C(=O)N1CCC(C)(C)C.
What is the InChIKey of 3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is DSJDQQMEKUQCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)13-14(20)18-17(6,12-7-8-12)15(21)19(13)10-9-16(3,4)5/h11-13H,7-10H2,1-6H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64885748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).