3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione

C16H28N2O2 — CID 83168014

IUPAC3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1CCCC(C)C
InChIInChI=1S/C16H28N2O2/c1-4-6-13-15(19)17-14(12-8-9-12)16(20)18(13)10-5-7-11(2)3/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyORORHACFCIZZTQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds7

About 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione

3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione (PubChem CID 83168014) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
PubChem CID83168014
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1CCCC(C)C
InChIInChI=1S/C16H28N2O2/c1-4-6-13-15(19)17-14(12-8-9-12)16(20)18(13)10-5-7-11(2)3/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyORORHACFCIZZTQ-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione (CID 83168014) is 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C2CC2)C(=O)N1CCCC(C)C.
What is the InChIKey of 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione?
The InChIKey is ORORHACFCIZZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-6-13-15(19)17-14(12-8-9-12)16(20)18(13)10-5-7-11(2)3/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione?
3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 83168014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).