1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride

C15H27ClF3N3O2 — CID 120812302

IUPAC1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1.Cl
InChIInChI=1S/C15H26F3N3O2.ClH/c1-23-10-5-14(3-2-4-14)13(22)20-11-12(15(16,17)18)21-8-6-19-7-9-21;/h12,19H,2-11H2,1H3,(H,20,22);1H
InChIKeyPNMUZXHRFFHVFD-UHFFFAOYSA-N
MW373.85 g/mol
LogP1.57
Rot. Bonds7

About 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride

1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 120812302) has the molecular formula C15H27ClF3N3O2 and a molecular weight of 373.85 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride
PubChem CID120812302
Molecular FormulaC15H27ClF3N3O2
Molecular Weight373.85 g/mol
Exact Mass373.17
IUPAC Name1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1.Cl
InChIInChI=1S/C15H26F3N3O2.ClH/c1-23-10-5-14(3-2-4-14)13(22)20-11-12(15(16,17)18)21-8-6-19-7-9-21;/h12,19H,2-11H2,1H3,(H,20,22);1H
InChIKeyPNMUZXHRFFHVFD-UHFFFAOYSA-N
XLogP1.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120813621
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812812
N-[(2R)-2-(ethylamino)propyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 120654180
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
1-(2-methoxyethyl)-N-piperidin-4-ylcyclobutane-1-carboxamide;hydrochloride
CID 119389324
1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120812569
2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813092
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812954
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119629491
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride (CID 120812302) is 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride is COCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1.Cl.
What is the InChIKey of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is PNMUZXHRFFHVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2.ClH/c1-23-10-5-14(3-2-4-14)13(22)20-11-12(15(16,17)18)21-8-6-19-7-9-21;/h12,19H,2-11H2,1H3,(H,20,22);1H.
What are the key properties of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride?
1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 373.85 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120812302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).