N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

C15H19FN2O2 — CID 108952329

IUPACN-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)CC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-11-3-2-8-18(10-11)15(20)9-14(19)17-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyKERYNRMCRDPABH-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.41
Rot. Bonds3

About N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108952329) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108952329
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)CC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-11-3-2-8-18(10-11)15(20)9-14(19)17-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyKERYNRMCRDPABH-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
N-(3,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952396
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108944941
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
N-(2,6-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952397
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952404
1-(4-fluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922369
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (CID 108952329) is N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is CC1CCCN(C(=O)CC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is KERYNRMCRDPABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-11-3-2-8-18(10-11)15(20)9-14(19)17-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 278.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108952329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).