3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione

C16H28N2O2 — CID 64964376

IUPAC3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCCC(C)N1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H28N2O2/c1-5-6-7-8-11(2)18-12(3)14(19)17-16(4,15(18)20)13-9-10-13/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyYMJHOIBIIRLMLC-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds6

About 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione

3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64964376) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64964376
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCCC(C)N1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H28N2O2/c1-5-6-7-8-11(2)18-12(3)14(19)17-16(4,15(18)20)13-9-10-13/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyYMJHOIBIIRLMLC-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965046
3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965106
3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
CID 64885751
3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione
CID 64964724
3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969134
3-cyclopropyl-1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043459
3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64966786
8-methyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957246
3-methyl-4-pentan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64957234
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3-cyclopropyl-1-(1-cyclopropylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960714
3-tert-butyl-1-heptan-2-yl-6-methylpiperazine-2,5-dione
CID 64964224

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione (CID 64964376) is 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione is CCCCCC(C)N1C(=O)C(C)(C2CC2)NC(=O)C1C.
What is the InChIKey of 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is YMJHOIBIIRLMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-6-7-8-11(2)18-12(3)14(19)17-16(4,15(18)20)13-9-10-13/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione?
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64964376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).