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

C17H21FN2O3 — CID 91792309

IUPAC1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c1-19-17(23)14-4-2-3-11-20(14)16(22)10-9-15(21)12-5-7-13(18)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,19,23)
InChIKeyJXRTUUHYYVKQCG-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.92
Rot. Bonds5

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

1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 91792309) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide
PubChem CID91792309
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c1-19-17(23)14-4-2-3-11-20(14)16(22)10-9-15(21)12-5-7-13(18)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,19,23)
InChIKeyJXRTUUHYYVKQCG-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-(4-fluorophenyl)-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butane-1,4-dione
CID 119650890
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione;hydrochloride
CID 119468463
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897284
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
1-(4-fluorophenyl)-4-[2-(4-methoxy-3-methylbenzoyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110410411
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione
CID 119633314
1-(4-fluorophenyl)-4-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]butane-1,4-dione
CID 154748747
tert-butyl N-[1-[1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidin-2-yl]ethyl]carbamate
CID 47092142
3-amino-N-[[1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579536
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 60546086
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide (CID 91792309) is 1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is JXRTUUHYYVKQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-19-17(23)14-4-2-3-11-20(14)16(22)10-9-15(21)12-5-7-13(18)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,19,23).
What are the key properties of 1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide?
1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 91792309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).