4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide

C20H29F3N2O2 — CID 42526208

IUPAC4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCOc1ccc(CCN(CC2CCN(C)CC2)C(=O)CCC(F)(F)F)cc1
InChIInChI=1S/C20H29F3N2O2/c1-24-12-8-17(9-13-24)15-25(19(26)7-11-20(21,22)23)14-10-16-3-5-18(27-2)6-4-16/h3-6,17H,7-15H2,1-2H3
InChIKeyMBIUZAWHUCOGMU-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.75
Rot. Bonds8

About 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide

4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide (PubChem CID 42526208) has the molecular formula C20H29F3N2O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide
PubChem CID42526208
Molecular FormulaC20H29F3N2O2
Molecular Weight386.46 g/mol
Exact Mass386.22
IUPAC Name4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCOc1ccc(CCN(CC2CCN(C)CC2)C(=O)CCC(F)(F)F)cc1
InChIInChI=1S/C20H29F3N2O2/c1-24-12-8-17(9-13-24)15-25(19(26)7-11-20(21,22)23)14-10-16-3-5-18(27-2)6-4-16/h3-6,17H,7-15H2,1-2H3
InChIKeyMBIUZAWHUCOGMU-UHFFFAOYSA-N
XLogP3.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 26399408
4-cyano-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
CID 72918434
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 154900232
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 25373827
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 72866904
N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 25457846
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25289668
N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858628
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 107492222
2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 72878220
N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 23512954

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide (CID 42526208) is 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide is COc1ccc(CCN(CC2CCN(C)CC2)C(=O)CCC(F)(F)F)cc1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The InChIKey is MBIUZAWHUCOGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O2/c1-24-12-8-17(9-13-24)15-25(19(26)7-11-20(21,22)23)14-10-16-3-5-18(27-2)6-4-16/h3-6,17H,7-15H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide has a molecular weight of 386.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 42526208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).