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

C15H27ClF3N3O — CID 120812498

IUPAC2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1(C)C(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1(C)C.Cl
InChIInChI=1S/C15H26F3N3O.ClH/c1-13(2)11(14(13,3)4)12(22)20-9-10(15(16,17)18)21-7-5-19-6-8-21;/h10-11,19H,5-9H2,1-4H3,(H,20,22);1H
InChIKeyREGFMSVUUIEJFI-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.04
Rot. Bonds4

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

2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120812498) has the molecular formula C15H27ClF3N3O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120812498
Molecular FormulaC15H27ClF3N3O
Molecular Weight357.85 g/mol
Exact Mass357.18
IUPAC Name2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1(C)C(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1(C)C.Cl
InChIInChI=1S/C15H26F3N3O.ClH/c1-13(2)11(14(13,3)4)12(22)20-9-10(15(16,17)18)21-7-5-19-6-8-21;/h10-11,19H,5-9H2,1-4H3,(H,20,22);1H
InChIKeyREGFMSVUUIEJFI-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
CID 120812289
2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813092
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812812
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-2-carboxamide
CID 120811383
3-methylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813821
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812954
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide
CID 120810657
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
2-(4-methylcyclohexyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812952
1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 120812924
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120813621

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride (CID 120812498) is 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride is CC1(C)C(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1(C)C.Cl.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is REGFMSVUUIEJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O.ClH/c1-13(2)11(14(13,3)4)12(22)20-9-10(15(16,17)18)21-7-5-19-6-8-21;/h10-11,19H,5-9H2,1-4H3,(H,20,22);1H.
What are the key properties of 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 357.85 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120812498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).