6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione

C16H28N2O2 — CID 64874181

IUPAC6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCCCCN1C(=O)C(C(C)C)NC(=O)C1C1CC1
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-10-18-14(12-8-9-12)15(19)17-13(11(2)3)16(18)20/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyMIEMUMZYEFXVNJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds7

About 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione

6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64874181) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64874181
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCCCCN1C(=O)C(C(C)C)NC(=O)C1C1CC1
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-10-18-14(12-8-9-12)15(19)17-13(11(2)3)16(18)20/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyMIEMUMZYEFXVNJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874575
6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
CID 64902231
3-decyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83270397
1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione
CID 106440647
6-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103141773
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
6-methyl-1-(7-methyloctyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107818513
1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 64885551
1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 64872679
6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione (CID 64874181) is 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione is CCCCCCN1C(=O)C(C(C)C)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is MIEMUMZYEFXVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-5-6-7-10-18-14(12-8-9-12)15(19)17-13(11(2)3)16(18)20/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione?
6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-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 6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64874181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).