N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

C23H25F3N2O4 — CID 108558608

IUPACN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC
InChIInChI=1S/C23H25F3N2O4/c1-31-19-8-3-15(13-20(19)32-2)14-21(29)28-11-9-18(10-12-28)27-22(30)16-4-6-17(7-5-16)23(24,25)26/h3-8,13,18H,9-12,14H2,1-2H3,(H,27,30)
InChIKeyCIURDWFQCSRENJ-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.69
Rot. Bonds6

About N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 108558608) has the molecular formula C23H25F3N2O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID108558608
Molecular FormulaC23H25F3N2O4
Molecular Weight450.46 g/mol
Exact Mass450.18
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC
InChIInChI=1S/C23H25F3N2O4/c1-31-19-8-3-15(13-20(19)32-2)14-21(29)28-11-9-18(10-12-28)27-22(30)16-4-6-17(7-5-16)23(24,25)26/h3-8,13,18H,9-12,14H2,1-2H3,(H,27,30)
InChIKeyCIURDWFQCSRENJ-UHFFFAOYSA-N
XLogP3.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548772
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551562
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555406
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043589
2-(3,4-dimethoxyphenyl)-1-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 108548107
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108567341
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 108558608) is N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is COc1ccc(CC(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is CIURDWFQCSRENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4/c1-31-19-8-3-15(13-20(19)32-2)14-21(29)28-11-9-18(10-12-28)27-22(30)16-4-6-17(7-5-16)23(24,25)26/h3-8,13,18H,9-12,14H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 450.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108558608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).