N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide

C23H25F3N2O3 — CID 86953536

IUPACN-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1
InChIInChI=1S/C23H25F3N2O3/c1-14(10-15-4-3-5-18(11-15)31-2)27-23(30)28-8-6-16(7-9-28)22(29)21-19(25)12-17(24)13-20(21)26/h3-5,11-14,16H,6-10H2,1-2H3,(H,27,30)
InChIKeyGPUCXYOKGMOJED-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.35
Rot. Bonds6

About N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide

N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide (PubChem CID 86953536) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide
PubChem CID86953536
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC NameN-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1
InChIInChI=1S/C23H25F3N2O3/c1-14(10-15-4-3-5-18(11-15)31-2)27-23(30)28-8-6-16(7-9-28)22(29)21-19(25)12-17(24)13-20(21)26/h3-5,11-14,16H,6-10H2,1-2H3,(H,27,30)
InChIKeyGPUCXYOKGMOJED-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide 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-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide
CID 86943270
1-[1-(3-fluoro-5-methoxyphenyl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122017056
4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 95127154
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylmorpholine-4-carboxamide
CID 96532420
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953089
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943269
[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 95127122
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2R)-1-(3-fluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 129378442

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide (CID 86953536) is N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide is COc1cccc(CC(C)NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide?
The InChIKey is GPUCXYOKGMOJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-14(10-15-4-3-5-18(11-15)31-2)27-23(30)28-8-6-16(7-9-28)22(29)21-19(25)12-17(24)13-20(21)26/h3-5,11-14,16H,6-10H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide?
N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 86953536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).