1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione

C14H22N2O2 — CID 114246855

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1C1CC2CCC1C2
InChIInChI=1S/C14H22N2O2/c1-2-3-11-14(18)15-8-13(17)16(11)12-7-9-4-5-10(12)6-9/h9-12H,2-8H2,1H3,(H,15,18)
InChIKeyALFVUQWHLGBJMJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.30
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione

1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione (PubChem CID 114246855) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione
PubChem CID114246855
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1C1CC2CCC1C2
InChIInChI=1S/C14H22N2O2/c1-2-3-11-14(18)15-8-13(17)16(11)12-7-9-4-5-10(12)6-9/h9-12H,2-8H2,1H3,(H,15,18)
InChIKeyALFVUQWHLGBJMJ-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-6-propylpiperazine-2,5-dione
CID 64881606
9-(2-bicyclo[2.2.1]heptanyl)-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64972715
1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 79551080
1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione
CID 64880826
(3aS,6aR)-3-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thione
CID 98216261
6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64878893
3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83258259
1-(2-bicyclo[2.2.1]heptanyl)-2-methyl-5-propylpiperazine
CID 64942050
6-propyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64879861
1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione
CID 82936467
6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64878733
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione (CID 114246855) is 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NCC(=O)N1C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione?
The InChIKey is ALFVUQWHLGBJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-11-14(18)15-8-13(17)16(11)12-7-9-4-5-10(12)6-9/h9-12H,2-8H2,1H3,(H,15,18).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione?
1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 114246855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).