1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione

C14H22N2O2 — CID 106210699

IUPAC1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESC#CCCCCN1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C14H22N2O2/c1-5-6-7-8-9-16-11(4)13(17)15-12(10(2)3)14(16)18/h1,10-12H,6-9H2,2-4H3,(H,15,17)
InChIKeyKRVCEJQWDQZPBT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.16
Rot. Bonds5

About 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione

1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 106210699) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID106210699
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESC#CCCCCN1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C14H22N2O2/c1-5-6-7-8-9-16-11(4)13(17)15-12(10(2)3)14(16)18/h1,10-12H,6-9H2,2-4H3,(H,15,17)
InChIKeyKRVCEJQWDQZPBT-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

6-methyl-1-(7-methyloctyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107818513
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847
1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 82934843
1-(2-tert-butylsulfonylethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 106733445
1-[(E)-3-chloroprop-2-enyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 107901996
6-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114532445
1-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 106046035
6-methyl-1-pent-4-ynylpiperazine-2,5-dione
CID 106222227
9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106210771
6-methyl-1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64874446
1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64872478
6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874181

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione (CID 106210699) is 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione is C#CCCCCN1C(=O)C(C(C)C)NC(=O)C1C.
What is the InChIKey of 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is KRVCEJQWDQZPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-6-7-8-9-16-11(4)13(17)15-12(10(2)3)14(16)18/h1,10-12H,6-9H2,2-4H3,(H,15,17).
What are the key properties of 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-ynyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106210699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).