3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione

C14H24N2O2 — CID 64969099

IUPAC3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
SMILESCCCCC(C)N1C(=O)C(C2CC2)NC(=O)C1C
InChIInChI=1S/C14H24N2O2/c1-4-5-6-9(2)16-10(3)13(17)15-12(14(16)18)11-7-8-11/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyXRHVBPBPKVKGJO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds5

About 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione

3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione (PubChem CID 64969099) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
PubChem CID64969099
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
SMILESCCCCC(C)N1C(=O)C(C2CC2)NC(=O)C1C
InChIInChI=1S/C14H24N2O2/c1-4-5-6-9(2)16-10(3)13(17)15-12(14(16)18)11-7-8-11/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyXRHVBPBPKVKGJO-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-6-ethyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64968978
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
3-cyclopropyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64885420
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3-cyclopropyl-6-ethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957333
3-tert-butyl-1-heptan-2-yl-6-methylpiperazine-2,5-dione
CID 64964224
3-tert-butyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965035
3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 114013090
3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64887376
3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958271
1-(1-cyclohexylethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64969309
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione (CID 64969099) is 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione is CCCCC(C)N1C(=O)C(C2CC2)NC(=O)C1C.
What is the InChIKey of 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione?
The InChIKey is XRHVBPBPKVKGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-6-9(2)16-10(3)13(17)15-12(14(16)18)11-7-8-11/h9-12H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione?
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64969099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).