N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide

C22H25FN2O3 — CID 99468805

IUPACN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1C
InChIInChI=1S/C22H25FN2O3/c1-15-7-8-18(13-16(15)2)28-14-21(26)25-11-9-17(10-12-25)24-22(27)19-5-3-4-6-20(19)23/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyMUDIHEIEXXALHA-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.24
Rot. Bonds5

About N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide

N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide (PubChem CID 99468805) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
PubChem CID99468805
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1C
InChIInChI=1S/C22H25FN2O3/c1-15-7-8-18(13-16(15)2)28-14-21(26)25-11-9-17(10-12-25)24-22(27)19-5-3-4-6-20(19)23/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyMUDIHEIEXXALHA-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554700
2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548368
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557391
2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108566626
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide (CID 99468805) is N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1C.
What is the InChIKey of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is MUDIHEIEXXALHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-15-7-8-18(13-16(15)2)28-14-21(26)25-11-9-17(10-12-25)24-22(27)19-5-3-4-6-20(19)23/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide?
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 384.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 99468805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).