4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide

C17H28F3N3O3 — CID 126798478

IUPAC4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C17H28F3N3O3/c1-2-3-6-22-9-10-26-12-14(22)16(25)21-13-4-7-23(8-5-13)15(24)11-17(18,19)20/h13-14H,2-12H2,1H3,(H,21,25)
InChIKeyZUFWSUIQEQMOAV-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.55
Rot. Bonds6

About 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide

4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide (PubChem CID 126798478) has the molecular formula C17H28F3N3O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide
PubChem CID126798478
Molecular FormulaC17H28F3N3O3
Molecular Weight379.42 g/mol
Exact Mass379.21
IUPAC Name4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C17H28F3N3O3/c1-2-3-6-22-9-10-26-12-14(22)16(25)21-13-4-7-23(8-5-13)15(24)11-17(18,19)20/h13-14H,2-12H2,1H3,(H,21,25)
InChIKeyZUFWSUIQEQMOAV-UHFFFAOYSA-N
XLogP1.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide (CID 126798478) is 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide is CCCCN1CCOCC1C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide?
The InChIKey is ZUFWSUIQEQMOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N3O3/c1-2-3-6-22-9-10-26-12-14(22)16(25)21-13-4-7-23(8-5-13)15(24)11-17(18,19)20/h13-14H,2-12H2,1H3,(H,21,25).
What are the key properties of 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide?
4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 126798478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).