4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide

C16H28F3N3O2 — CID 134435829

IUPAC4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide
SMILESCC(CC(=O)NC1(CN2CCOCC2)CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C16H28F3N3O2/c1-13(16(17,18)19)11-14(23)20-15(3-5-21(2)6-4-15)12-22-7-9-24-10-8-22/h13H,3-12H2,1-2H3,(H,20,23)
InChIKeyVQNHMSDCZXJLFP-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.49
Rot. Bonds5

About 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide

4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide (PubChem CID 134435829) has the molecular formula C16H28F3N3O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide
PubChem CID134435829
Molecular FormulaC16H28F3N3O2
Molecular Weight351.41 g/mol
Exact Mass351.21
IUPAC Name4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide
SMILESCC(CC(=O)NC1(CN2CCOCC2)CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C16H28F3N3O2/c1-13(16(17,18)19)11-14(23)20-15(3-5-21(2)6-4-15)12-22-7-9-24-10-8-22/h13H,3-12H2,1-2H3,(H,20,23)
InChIKeyVQNHMSDCZXJLFP-UHFFFAOYSA-N
XLogP1.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide (CID 134435829) is 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide is CC(CC(=O)NC1(CN2CCOCC2)CCN(C)CC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide?
The InChIKey is VQNHMSDCZXJLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O2/c1-13(16(17,18)19)11-14(23)20-15(3-5-21(2)6-4-15)12-22-7-9-24-10-8-22/h13H,3-12H2,1-2H3,(H,20,23).
What are the key properties of 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide?
4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide has a molecular weight of 351.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 134435829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).