N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide

C18H32F3N3O — CID 28954216

IUPACN-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)CCC(F)(F)F
InChIInChI=1S/C18H32F3N3O/c1-3-23(17(25)4-9-18(19,20)21)14-15-5-12-24(13-6-15)16-7-10-22(2)11-8-16/h15-16H,3-14H2,1-2H3
InChIKeyDIIMVXFKWXSDHW-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.98
Rot. Bonds6

About N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide

N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide (PubChem CID 28954216) has the molecular formula C18H32F3N3O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide
PubChem CID28954216
Molecular FormulaC18H32F3N3O
Molecular Weight363.47 g/mol
Exact Mass363.25
IUPAC NameN-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)CCC(F)(F)F
InChIInChI=1S/C18H32F3N3O/c1-3-23(17(25)4-9-18(19,20)21)14-15-5-12-24(13-6-15)16-7-10-22(2)11-8-16/h15-16H,3-14H2,1-2H3
InChIKeyDIIMVXFKWXSDHW-UHFFFAOYSA-N
XLogP2.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide (CID 28954216) is N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide is CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)CCC(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide?
The InChIKey is DIIMVXFKWXSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3O/c1-3-23(17(25)4-9-18(19,20)21)14-15-5-12-24(13-6-15)16-7-10-22(2)11-8-16/h15-16H,3-14H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide?
N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide has a molecular weight of 363.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 28954216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).