N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide

C22H23F3N2O3 — CID 108558573

IUPACN-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)17-8-6-16(7-9-17)21(29)26-18-10-13-27(14-11-18)20(28)12-15-30-19-4-2-1-3-5-19/h1-9,18H,10-15H2,(H,26,29)
InChIKeyKGXHELXJCVHDAM-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.90
Rot. Bonds6

About N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide

N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 108558573) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID108558573
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC NameN-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)17-8-6-16(7-9-17)21(29)26-18-10-13-27(14-11-18)20(28)12-15-30-19-4-2-1-3-5-19/h1-9,18H,10-15H2,(H,26,29)
InChIKeyKGXHELXJCVHDAM-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554822
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113078078
2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108548392
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
benzyl 4-[[4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
CID 108563054
2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108554611

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 108558573) is N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide is O=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is KGXHELXJCVHDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)17-8-6-16(7-9-17)21(29)26-18-10-13-27(14-11-18)20(28)12-15-30-19-4-2-1-3-5-19/h1-9,18H,10-15H2,(H,26,29).
What are the key properties of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 420.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108558573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).