2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride

C16H30Cl2N4O2 — CID 119843973

IUPAC2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)C2C3CCC(C3)C2N)CC1.Cl.Cl
InChIInChI=1S/C16H28N4O2.2ClH/c1-2-18-13(21)10-19-5-7-20(8-6-19)16(22)14-11-3-4-12(9-11)15(14)17;;/h11-12,14-15H,2-10,17H2,1H3,(H,18,21);2*1H
InChIKeyVZXZVAGPGBFIGW-UHFFFAOYSA-N
MW381.35 g/mol
LogP0.48
Rot. Bonds4

About 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride

2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride (PubChem CID 119843973) has the molecular formula C16H30Cl2N4O2 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
PubChem CID119843973
Molecular FormulaC16H30Cl2N4O2
Molecular Weight381.35 g/mol
Exact Mass380.17
IUPAC Name2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)C2C3CCC(C3)C2N)CC1.Cl.Cl
InChIInChI=1S/C16H28N4O2.2ClH/c1-2-18-13(21)10-19-5-7-20(8-6-19)16(22)14-11-3-4-12(9-11)15(14)17;;/h11-12,14-15H,2-10,17H2,1H3,(H,18,21);2*1H
InChIKeyVZXZVAGPGBFIGW-UHFFFAOYSA-N
XLogP0.48
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 119840168
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837255
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 119836889
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876003
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride
CID 119702855
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879438
(3-amino-2-bicyclo[2.2.1]heptanyl)-thiomorpholin-4-ylmethanone;hydrochloride
CID 119705162
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 119720592
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 119851960
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726667
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 120797778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The IUPAC name of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride (CID 119843973) is 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride is CCNC(=O)CN1CCN(C(=O)C2C3CCC(C3)C2N)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The InChIKey is VZXZVAGPGBFIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.2ClH/c1-2-18-13(21)10-19-5-7-20(8-6-19)16(22)14-11-3-4-12(9-11)15(14)17;;/h11-12,14-15H,2-10,17H2,1H3,(H,18,21);2*1H.
What are the key properties of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride has a molecular weight of 381.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride is sourced from PubChem (CID 119843973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).