N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide

C15H19FN2O2 — CID 62654769

IUPACN-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
SMILESO=CC1CCCCN1CCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H19FN2O2/c16-13-6-1-2-7-14(13)17-15(20)8-10-18-9-4-3-5-12(18)11-19/h1-2,6-7,11-12H,3-5,8-10H2,(H,17,20)
InChIKeyOKLLXTNRVSICKV-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.21
Rot. Bonds5

About N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide

N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide (PubChem CID 62654769) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
PubChem CID62654769
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
SMILESO=CC1CCCCN1CCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H19FN2O2/c16-13-6-1-2-7-14(13)17-15(20)8-10-18-9-4-3-5-12(18)11-19/h1-2,6-7,11-12H,3-5,8-10H2,(H,17,20)
InChIKeyOKLLXTNRVSICKV-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
CID 62654443
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112
N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62014163
3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-fluorophenyl)propanamide
CID 100905129
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785896
N-(2-fluorophenyl)-3-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
CID 91842321
N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
CID 124755302
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide (CID 62654769) is N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide is O=CC1CCCCN1CCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide?
The InChIKey is OKLLXTNRVSICKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-13-6-1-2-7-14(13)17-15(20)8-10-18-9-4-3-5-12(18)11-19/h1-2,6-7,11-12H,3-5,8-10H2,(H,17,20).
What are the key properties of N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide?
N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide has a molecular weight of 278.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide is sourced from PubChem (CID 62654769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).