1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione

C16H26N2O2 — CID 79551080

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NCC(=O)N1CC1CC2CCC1C2
InChIInChI=1S/C16H26N2O2/c1-10(2)5-14-16(20)17-8-15(19)18(14)9-13-7-11-3-4-12(13)6-11/h10-14H,3-9H2,1-2H3,(H,17,20)
InChIKeyFBPJMJNBMUUUPK-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.80
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione

1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 79551080) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID79551080
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NCC(=O)N1CC1CC2CCC1C2
InChIInChI=1S/C16H26N2O2/c1-10(2)5-14-16(20)17-8-15(19)18(14)9-13-7-11-3-4-12(13)6-11/h10-14H,3-9H2,1-2H3,(H,17,20)
InChIKeyFBPJMJNBMUUUPK-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881230
1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64879110
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
CID 83257279
1-[(E)-but-2-enyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 107898402
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 112592161
6-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64880261
1-[2-(3-methylbutoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 64880073
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 64879688
1-[(5-ethylthiophen-2-yl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 64880654
1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione
CID 114246855
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83256941

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione (CID 79551080) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1C(=O)NCC(=O)N1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is FBPJMJNBMUUUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)5-14-16(20)17-8-15(19)18(14)9-13-7-11-3-4-12(13)6-11/h10-14H,3-9H2,1-2H3,(H,17,20).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 1.80, 4 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]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 79551080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).