4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide

C19H26F4N2O — CID 23723278

IUPAC4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCC(F)(F)F
InChIInChI=1S/C19H26F4N2O/c1-24(18(26)8-10-19(21,22)23)13-16-3-2-11-25(14-16)12-9-15-4-6-17(20)7-5-15/h4-7,16H,2-3,8-14H2,1H3
InChIKeyIRCRTYOBDVLALZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.88
Rot. Bonds7

About 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide

4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide (PubChem CID 23723278) has the molecular formula C19H26F4N2O and a molecular weight of 374.42 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide
PubChem CID23723278
Molecular FormulaC19H26F4N2O
Molecular Weight374.42 g/mol
Exact Mass374.20
IUPAC Name4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCC(F)(F)F
InChIInChI=1S/C19H26F4N2O/c1-24(18(26)8-10-19(21,22)23)13-16-3-2-11-25(14-16)12-9-15-4-6-17(20)7-5-15/h4-7,16H,2-3,8-14H2,1H3
InChIKeyIRCRTYOBDVLALZ-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide (CID 23723278) is 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide is CN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide?
The InChIKey is IRCRTYOBDVLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F4N2O/c1-24(18(26)8-10-19(21,22)23)13-16-3-2-11-25(14-16)12-9-15-4-6-17(20)7-5-15/h4-7,16H,2-3,8-14H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide?
4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide has a molecular weight of 374.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylbutanamide is sourced from PubChem (CID 23723278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).