3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

C16H23FN4O2 — CID 71986668

IUPAC3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C16H23FN4O2/c1-18-16(23)20-15(22)8-11-21-9-6-12(7-10-21)19-14-5-3-2-4-13(14)17/h2-5,12,19H,6-11H2,1H3,(H2,18,20,22,23)
InChIKeyLQWYQHDACULNFY-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.55
Rot. Bonds5

About 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 71986668) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID71986668
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C16H23FN4O2/c1-18-16(23)20-15(22)8-11-21-9-6-12(7-10-21)19-14-5-3-2-4-13(14)17/h2-5,12,19H,6-11H2,1H3,(H2,18,20,22,23)
InChIKeyLQWYQHDACULNFY-UHFFFAOYSA-N
XLogP1.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
CID 111496659
N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 91843372
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
CID 75515001
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
N-(2-fluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63264342
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
CID 60728436
[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide
CID 43692190
N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
CID 47532172

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (CID 71986668) is 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is LQWYQHDACULNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-18-16(23)20-15(22)8-11-21-9-6-12(7-10-21)19-14-5-3-2-4-13(14)17/h2-5,12,19H,6-11H2,1H3,(H2,18,20,22,23).
What are the key properties of 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 322.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 71986668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).