3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide

C18H23F3N2O3 — CID 108932878

IUPAC3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C18H23F3N2O3/c1-26-15-4-2-3-13(11-15)5-6-16(24)22-12-14-7-9-23(10-8-14)17(25)18(19,20)21/h2-4,11,14H,5-10,12H2,1H3,(H,22,24)
InChIKeyNVZHLNPXTWOJPA-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.54
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide

3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide (PubChem CID 108932878) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
PubChem CID108932878
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C18H23F3N2O3/c1-26-15-4-2-3-13(11-15)5-6-16(24)22-12-14-7-9-23(10-8-14)17(25)18(19,20)21/h2-4,11,14H,5-10,12H2,1H3,(H,22,24)
InChIKeyNVZHLNPXTWOJPA-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
tert-butyl N-[2-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916612
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 60599829
N-(3-fluoro-4-methylphenyl)-4-[2-[3-(3-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903719
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934905
2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71866670
tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
CID 96515811
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
N-(2-cyclopropyl-2-hydroxyethyl)-3-(3-methoxyphenyl)propanamide
CID 63294459

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide (CID 108932878) is 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide is COc1cccc(CCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is NVZHLNPXTWOJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-26-15-4-2-3-13(11-15)5-6-16(24)22-12-14-7-9-23(10-8-14)17(25)18(19,20)21/h2-4,11,14H,5-10,12H2,1H3,(H,22,24).
What are the key properties of 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 372.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 108932878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).