N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide

C23H27FN2O3 — CID 55895000

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C23H27FN2O3/c1-15-10-16(2)13-26(12-15)23(28)18-5-4-17(3)21(11-18)25-22(27)14-29-20-8-6-19(24)7-9-20/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,25,27)
InChIKeyPTJFLTOJUKOYNG-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.27
Rot. Bonds5

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 55895000) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
PubChem CID55895000
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C23H27FN2O3/c1-15-10-16(2)13-26(12-15)23(28)18-5-4-17(3)21(11-18)25-22(27)14-29-20-8-6-19(24)7-9-20/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,25,27)
InChIKeyPTJFLTOJUKOYNG-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55895003
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 55895378
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55895763
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55895384
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-5-methoxybenzamide
CID 112846199
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
CID 112846190
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide
CID 132970155
4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
CID 87026950

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide (CID 55895000) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)COc1ccc(F)cc1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is PTJFLTOJUKOYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-15-10-16(2)13-26(12-15)23(28)18-5-4-17(3)21(11-18)25-22(27)14-29-20-8-6-19(24)7-9-20/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,25,27).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 398.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 55895000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).