2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride

C17H32ClN3O — CID 171668951

IUPAC2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
SMILESCN1CCN(CC(=O)NC2(C)C3CCC(C3)C2(C)C)CC1.Cl
InChIInChI=1S/C17H31N3O.ClH/c1-16(2)13-5-6-14(11-13)17(16,3)18-15(21)12-20-9-7-19(4)8-10-20;/h13-14H,5-12H2,1-4H3,(H,18,21);1H
InChIKeyYMUXKVRBAVZNQK-UHFFFAOYSA-N
MW329.92 g/mol
LogP1.99
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride

2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride (PubChem CID 171668951) has the molecular formula C17H32ClN3O and a molecular weight of 329.92 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
PubChem CID171668951
Molecular FormulaC17H32ClN3O
Molecular Weight329.92 g/mol
Exact Mass329.22
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
SMILESCN1CCN(CC(=O)NC2(C)C3CCC(C3)C2(C)C)CC1.Cl
InChIInChI=1S/C17H31N3O.ClH/c1-16(2)13-5-6-14(11-13)17(16,3)18-15(21)12-20-9-7-19(4)8-10-20;/h13-14H,5-12H2,1-4H3,(H,18,21);1H
InChIKeyYMUXKVRBAVZNQK-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.92
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride (CID 171668951) is 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride is CN1CCN(CC(=O)NC2(C)C3CCC(C3)C2(C)C)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride?
The InChIKey is YMUXKVRBAVZNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.ClH/c1-16(2)13-5-6-14(11-13)17(16,3)18-15(21)12-20-9-7-19(4)8-10-20;/h13-14H,5-12H2,1-4H3,(H,18,21);1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride?
2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride has a molecular weight of 329.92 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride is sourced from PubChem (CID 171668951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).