3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide

C18H25F3N2O3 — CID 52532296

IUPAC3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide
SMILESCOc1cc(CCC(=O)N[C@@H]2CCCN(C)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O3/c1-23-9-3-4-14(11-23)22-17(24)8-6-13-5-7-15(16(10-13)25-2)26-12-18(19,20)21/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyQMGUKWHFGJFEGI-CQSZACIVSA-N
MW374.40 g/mol
LogP2.78
Rot. Bonds7

About 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide (PubChem CID 52532296) has the molecular formula C18H25F3N2O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide
PubChem CID52532296
Molecular FormulaC18H25F3N2O3
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC Name3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide
SMILESCOc1cc(CCC(=O)N[C@@H]2CCCN(C)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O3/c1-23-9-3-4-14(11-23)22-17(24)8-6-13-5-7-15(16(10-13)25-2)26-12-18(19,20)21/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyQMGUKWHFGJFEGI-CQSZACIVSA-N
XLogP2.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide with MolForge

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one;hydrochloride
CID 119379360
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119396765
N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 47091604
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 47091557
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25447187
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]cyclopentane-1-carboxylic acid
CID 119176805
3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046784
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanediamide
CID 51131042

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide?
The IUPAC name of 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide (CID 52532296) is 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide.
What is the SMILES notation for 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide?
The canonical SMILES for 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide is COc1cc(CCC(=O)N[C@@H]2CCCN(C)C2)ccc1OCC(F)(F)F.
What is the InChIKey of 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide?
The InChIKey is QMGUKWHFGJFEGI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25F3N2O3/c1-23-9-3-4-14(11-23)22-17(24)8-6-13-5-7-15(16(10-13)25-2)26-12-18(19,20)21/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide?
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide has a molecular weight of 374.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide is sourced from PubChem (CID 52532296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).