1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione

C17H26N2O2 — CID 64956567

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCC(C1CC2CCC1C2)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C17H26N2O2/c1-10(14-8-11-3-4-12(14)7-11)19-9-15(20)18-17(2,16(19)21)13-5-6-13/h10-14H,3-9H2,1-2H3,(H,18,20)
InChIKeyQFVQQFXQKDKOBY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.94
Rot. Bonds3

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione (PubChem CID 64956567) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione
PubChem CID64956567
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCC(C1CC2CCC1C2)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C17H26N2O2/c1-10(14-8-11-3-4-12(14)7-11)19-9-15(20)18-17(2,16(19)21)13-5-6-13/h10-14H,3-9H2,1-2H3,(H,18,20)
InChIKeyQFVQQFXQKDKOBY-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylimidazolidin-4-one
CID 83237826
3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969134
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124733154
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 100622378
3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963080
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one
CID 83239179
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186158
1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186157
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027659
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-3-methylpiperazine-2,5-dione
CID 64968171
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54973512
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83238792

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione (CID 64956567) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione is CC(C1CC2CCC1C2)N1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The InChIKey is QFVQQFXQKDKOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-10(14-8-11-3-4-12(14)7-11)19-9-15(20)18-17(2,16(19)21)13-5-6-13/h10-14H,3-9H2,1-2H3,(H,18,20).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione has a molecular weight of 290.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64956567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).