3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide

C28H28F3N3O3 — CID 171681569

IUPAC3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(C3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)cc2)cc1
InChIInChI=1S/C28H28F3N3O3/c1-19-2-9-24(10-3-19)37-17-14-26(35)33-23-7-4-20(5-8-23)21-12-15-34(16-13-21)27(36)22-6-11-25(32-18-22)28(29,30)31/h2-11,18,21H,12-17H2,1H3,(H,33,35)
InChIKeyBUNYPUFQCXSODO-UHFFFAOYSA-N
MW511.54 g/mol
LogP5.84
Rot. Bonds7

About 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide

3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 171681569) has the molecular formula C28H28F3N3O3 and a molecular weight of 511.54 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide
PubChem CID171681569
Molecular FormulaC28H28F3N3O3
Molecular Weight511.54 g/mol
Exact Mass511.21
IUPAC Name3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(C3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)cc2)cc1
InChIInChI=1S/C28H28F3N3O3/c1-19-2-9-24(10-3-19)37-17-14-26(35)33-23-7-4-20(5-8-23)21-12-15-34(16-13-21)27(36)22-6-11-25(32-18-22)28(29,30)31/h2-11,18,21H,12-17H2,1H3,(H,33,35)
InChIKeyBUNYPUFQCXSODO-UHFFFAOYSA-N
XLogP5.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.54
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide 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

3-(4-bromophenoxy)-N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]propanamide
CID 171685145
N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 171683402
2-(4-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179607
N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 171683165
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
3-(4-fluorophenoxy)-N-[4-[1-(1-phenylpiperidine-4-carbonyl)piperidin-4-yl]phenyl]propanamide
CID 171685573
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 134025795
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 108741133

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide (CID 171681569) is 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide is Cc1ccc(OCCC(=O)Nc2ccc(C3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)cc2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is BUNYPUFQCXSODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O3/c1-19-2-9-24(10-3-19)37-17-14-26(35)33-23-7-4-20(5-8-23)21-12-15-34(16-13-21)27(36)22-6-11-25(32-18-22)28(29,30)31/h2-11,18,21H,12-17H2,1H3,(H,33,35).
What are the key properties of 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide?
3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 511.54 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 171681569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).