4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide

C17H23FN2O3 — CID 136516441

IUPAC4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
SMILESCOCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C17H23FN2O3/c1-12-11-13(18)3-4-15(12)17(22)19-14-5-8-20(9-6-14)16(21)7-10-23-2/h3-4,11,14H,5-10H2,1-2H3,(H,19,22)
InChIKeyRLWZDMWZDDJAJO-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.89
Rot. Bonds5

About 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide

4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 136516441) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID136516441
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
SMILESCOCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C17H23FN2O3/c1-12-11-13(18)3-4-15(12)17(22)19-14-5-8-20(9-6-14)16(21)7-10-23-2/h3-4,11,14H,5-10H2,1-2H3,(H,19,22)
InChIKeyRLWZDMWZDDJAJO-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562171
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2,4-difluorobenzamide
CID 108566527
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2-[2-[[1-(3-methoxypropanoyl)piperidin-4-yl]carbamoyl]phenyl]sulfanylpropanoic acid
CID 120551828
1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one
CID 75502753
2-[4-[[1-(3-methoxypropanoyl)piperidin-4-yl]carbamoyl]-2,6-dimethylphenoxy]acetic acid
CID 120551835
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108566626
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108566430
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide (CID 136516441) is 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide is COCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2C)CC1.
What is the InChIKey of 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is RLWZDMWZDDJAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12-11-13(18)3-4-15(12)17(22)19-14-5-8-20(9-6-14)16(21)7-10-23-2/h3-4,11,14H,5-10H2,1-2H3,(H,19,22).
What are the key properties of 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide?
4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 322.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 136516441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).