N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

C15H26F3N3O — CID 134423032

IUPACN-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCNCC1CCN(CCNC(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C15H26F3N3O/c1-19-11-12-3-8-21(9-4-12)10-7-20-13(22)14(5-2-6-14)15(16,17)18/h12,19H,2-11H2,1H3,(H,20,22)
InChIKeySBQFXAKQCXMVPA-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 134423032) has the molecular formula C15H26F3N3O and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID134423032
Molecular FormulaC15H26F3N3O
Molecular Weight321.39 g/mol
Exact Mass321.20
IUPAC NameN-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCNCC1CCN(CCNC(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C15H26F3N3O/c1-19-11-12-3-8-21(9-4-12)10-7-20-13(22)14(5-2-6-14)15(16,17)18/h12,19H,2-11H2,1H3,(H,20,22)
InChIKeySBQFXAKQCXMVPA-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 134423032) is N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is CNCC1CCN(CCNC(=O)C2(C(F)(F)F)CCC2)CC1.
What is the InChIKey of N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is SBQFXAKQCXMVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O/c1-19-11-12-3-8-21(9-4-12)10-7-20-13(22)14(5-2-6-14)15(16,17)18/h12,19H,2-11H2,1H3,(H,20,22).
What are the key properties of N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methylaminomethyl)piperidin-1-yl]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134423032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).