2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone

C17H30F3N3O2 — CID 174378124

IUPAC2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone
SMILESCCN(C(C)CC(F)(F)F)C(C(=O)N1CCOCC1)C1CCNCC1
InChIInChI=1S/C17H30F3N3O2/c1-3-23(13(2)12-17(18,19)20)15(14-4-6-21-7-5-14)16(24)22-8-10-25-11-9-22/h13-15,21H,3-12H2,1-2H3
InChIKeyBEMBZEVVIMSTHQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.88
Rot. Bonds6

About 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone

2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone (PubChem CID 174378124) has the molecular formula C17H30F3N3O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone
PubChem CID174378124
Molecular FormulaC17H30F3N3O2
Molecular Weight365.44 g/mol
Exact Mass365.23
IUPAC Name2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone
SMILESCCN(C(C)CC(F)(F)F)C(C(=O)N1CCOCC1)C1CCNCC1
InChIInChI=1S/C17H30F3N3O2/c1-3-23(13(2)12-17(18,19)20)15(14-4-6-21-7-5-14)16(24)22-8-10-25-11-9-22/h13-15,21H,3-12H2,1-2H3
InChIKeyBEMBZEVVIMSTHQ-UHFFFAOYSA-N
XLogP1.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone?
The IUPAC name of 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone (CID 174378124) is 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone.
What is the SMILES notation for 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone?
The canonical SMILES for 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone is CCN(C(C)CC(F)(F)F)C(C(=O)N1CCOCC1)C1CCNCC1.
What is the InChIKey of 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone?
The InChIKey is BEMBZEVVIMSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N3O2/c1-3-23(13(2)12-17(18,19)20)15(14-4-6-21-7-5-14)16(24)22-8-10-25-11-9-22/h13-15,21H,3-12H2,1-2H3.
What are the key properties of 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone?
2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone has a molecular weight of 365.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(4,4,4-trifluorobutan-2-yl)amino]-1-morpholin-4-yl-2-piperidin-4-ylethanone is sourced from PubChem (CID 174378124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).