4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C17H28N2O2 — CID 2898030

IUPAC4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCCN1CCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)CC1
InChIInChI=1S/C17H28N2O2/c1-5-18-8-10-19(11-9-18)14(21)17-7-6-16(4,13(20)12-17)15(17,2)3/h5-12H2,1-4H3
InChIKeyHDHOCXQWYZHQRP-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.94
Rot. Bonds2

About 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 2898030) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID2898030
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCCN1CCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)CC1
InChIInChI=1S/C17H28N2O2/c1-5-18-8-10-19(11-9-18)14(21)17-7-6-16(4,13(20)12-17)15(17,2)3/h5-12H2,1-4H3
InChIKeyHDHOCXQWYZHQRP-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 2898030) is 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CCN1CCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is HDHOCXQWYZHQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-18-8-10-19(11-9-18)14(21)17-7-6-16(4,13(20)12-17)15(17,2)3/h5-12H2,1-4H3.
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 292.42 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2898030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).