1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide

C15H19FN2O2 — CID 103196893

IUPAC1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-17-15(20)12-3-2-8-18(9-12)10-14(19)11-4-6-13(16)7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyOUPRMMKLZNSCHJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.47
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide

1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103196893) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
PubChem CID103196893
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-17-15(20)12-3-2-8-18(9-12)10-14(19)11-4-6-13(16)7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyOUPRMMKLZNSCHJ-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998847
N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 103196880
N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide
CID 75472604
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 113234331
1-[3-(2-fluorophenyl)-2-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103196911
1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 103196061
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194899
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide (CID 103196893) is 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(CC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is OUPRMMKLZNSCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-17-15(20)12-3-2-8-18(9-12)10-14(19)11-4-6-13(16)7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H,17,20).
What are the key properties of 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103196893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).