1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide

C16H28F3N3O — CID 120810627

IUPAC1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1
InChIInChI=1S/C16H28F3N3O/c1-12(2)10-15(4-3-5-15)14(23)21-11-13(16(17,18)19)22-8-6-20-7-9-22/h12-13,20H,3-11H2,1-2H3,(H,21,23)
InChIKeyZUIXVLBLORCPJY-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.16
Rot. Bonds6

About 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide

1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 120810627) has the molecular formula C16H28F3N3O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
PubChem CID120810627
Molecular FormulaC16H28F3N3O
Molecular Weight335.41 g/mol
Exact Mass335.22
IUPAC Name1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1
InChIInChI=1S/C16H28F3N3O/c1-12(2)10-15(4-3-5-15)14(23)21-11-13(16(17,18)19)22-8-6-20-7-9-22/h12-13,20H,3-11H2,1-2H3,(H,21,23)
InChIKeyZUIXVLBLORCPJY-UHFFFAOYSA-N
XLogP2.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (CID 120810627) is 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is CC(C)CC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1.
What is the InChIKey of 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is ZUIXVLBLORCPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O/c1-12(2)10-15(4-3-5-15)14(23)21-11-13(16(17,18)19)22-8-6-20-7-9-22/h12-13,20H,3-11H2,1-2H3,(H,21,23).
What are the key properties of 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 120810627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).