3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide

C17H25FN2O — CID 110620539

IUPAC3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)CCc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C17H25FN2O/c1-14(20-11-3-2-4-12-20)13-19-17(21)10-7-15-5-8-16(18)9-6-15/h5-6,8-9,14H,2-4,7,10-13H2,1H3,(H,19,21)
InChIKeyAPXCOLHANNTVRR-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.75
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide

3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide (PubChem CID 110620539) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
PubChem CID110620539
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)CCc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C17H25FN2O/c1-14(20-11-3-2-4-12-20)13-19-17(21)10-7-15-5-8-16(18)9-6-15/h5-6,8-9,14H,2-4,7,10-13H2,1H3,(H,19,21)
InChIKeyAPXCOLHANNTVRR-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide (CID 110620539) is 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide is CC(CNC(=O)CCc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide?
The InChIKey is APXCOLHANNTVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-14(20-11-3-2-4-12-20)13-19-17(21)10-7-15-5-8-16(18)9-6-15/h5-6,8-9,14H,2-4,7,10-13H2,1H3,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide?
3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide has a molecular weight of 292.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 110620539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).