1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

C16H26N2O2 — CID 2898016

IUPAC1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCN1CCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)CC1
InChIInChI=1S/C16H26N2O2/c1-14(2)15(3)5-6-16(14,11-12(15)19)13(20)18-9-7-17(4)8-10-18/h5-11H2,1-4H3
InChIKeyZMBSZRAWHINMPB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.55
Rot. Bonds1

About 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 2898016) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID2898016
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCN1CCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)CC1
InChIInChI=1S/C16H26N2O2/c1-14(2)15(3)5-6-16(14,11-12(15)19)13(20)18-9-7-17(4)8-10-18/h5-11H2,1-4H3
InChIKeyZMBSZRAWHINMPB-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 2898016) is 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is CN1CCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)CC1.
What is the InChIKey of 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is ZMBSZRAWHINMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(2)15(3)5-6-16(14,11-12(15)19)13(20)18-9-7-17(4)8-10-18/h5-11H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2898016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).