1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione

C14H22N2O2 — CID 82936467

IUPAC1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione
SMILESO=C1NCC(=O)N(C2CCCCCC2)C1C1CC1
InChIInChI=1S/C14H22N2O2/c17-12-9-15-14(18)13(10-7-8-10)16(12)11-5-3-1-2-4-6-11/h10-11,13H,1-9H2,(H,15,18)
InChIKeyIQJPFKMEGXDKJT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds2

About 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione

1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione (PubChem CID 82936467) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione
PubChem CID82936467
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione
SMILESO=C1NCC(=O)N(C2CCCCCC2)C1C1CC1
InChIInChI=1S/C14H22N2O2/c17-12-9-15-14(18)13(10-7-8-10)16(12)11-5-3-1-2-4-6-11/h10-11,13H,1-9H2,(H,15,18)
InChIKeyIQJPFKMEGXDKJT-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64878733
1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione
CID 82925459
1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958842
3-cycloheptyl-2-methylimidazolidin-4-one
CID 83244225
6-cyclohexyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64879511
6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81110638
3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione
CID 82923635
1-cyclopentyl-6-cyclopropyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 82936883
6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione
CID 104650445
(3aR,10aR)-1-cyclohexyl-5,6,7,8,9,10a-hexahydro-3aH-pyrrolo[2,3-g][1,5]diazonine-2,3,4,10-tetrone
CID 124631691
3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83243721
6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64878730

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione (CID 82936467) is 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione is O=C1NCC(=O)N(C2CCCCCC2)C1C1CC1.
What is the InChIKey of 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione?
The InChIKey is IQJPFKMEGXDKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-12-9-15-14(18)13(10-7-8-10)16(12)11-5-3-1-2-4-6-11/h10-11,13H,1-9H2,(H,15,18).
What are the key properties of 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione?
1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 82936467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).