1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride

C13H23ClF3N3O — CID 120812812

IUPAC1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1.Cl
InChIInChI=1S/C13H22F3N3O.ClH/c1-2-12(3-4-12)11(20)18-9-10(13(14,15)16)19-7-5-17-6-8-19;/h10,17H,2-9H2,1H3,(H,18,20);1H
InChIKeyBJQBNYWQGKTQDC-UHFFFAOYSA-N
MW329.79 g/mol
LogP1.55
Rot. Bonds5

About 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride

1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120812812) has the molecular formula C13H23ClF3N3O and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120812812
Molecular FormulaC13H23ClF3N3O
Molecular Weight329.79 g/mol
Exact Mass329.15
IUPAC Name1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1.Cl
InChIInChI=1S/C13H22F3N3O.ClH/c1-2-12(3-4-12)11(20)18-9-10(13(14,15)16)19-7-5-17-6-8-19;/h10,17H,2-9H2,1H3,(H,18,20);1H
InChIKeyBJQBNYWQGKTQDC-UHFFFAOYSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride 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

1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120813621
1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride
CID 120812302
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide
CID 120813243
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812954
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
CID 120812289
2-[methyl(propan-2-yl)amino]-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 120812706
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
3-methylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813821
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride (CID 120812812) is 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride is CCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1.Cl.
What is the InChIKey of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is BJQBNYWQGKTQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O.ClH/c1-2-12(3-4-12)11(20)18-9-10(13(14,15)16)19-7-5-17-6-8-19;/h10,17H,2-9H2,1H3,(H,18,20);1H.
What are the key properties of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 329.79 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120812812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).