N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide

C17H23FN2O2 — CID 75472604

IUPACN-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(CCC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-2-19-17(22)14-4-3-10-20(12-14)11-9-16(21)13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyXKNWOVVPPLBXLC-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.25
Rot. Bonds6

About N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide

N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide (PubChem CID 75472604) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide
PubChem CID75472604
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(CCC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-2-19-17(22)14-4-3-10-20(12-14)11-9-16(21)13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyXKNWOVVPPLBXLC-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793238
1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one
CID 95463875
N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119916756
N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916755
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide
CID 99604716
1-(4-fluorophenyl)-3-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]propan-1-one
CID 124776743
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
CID 70382049
N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 22552921
1-(4-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 64597984
N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide
CID 49051196

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide (CID 75472604) is N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide is CCNC(=O)C1CCCN(CCC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide?
The InChIKey is XKNWOVVPPLBXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-2-19-17(22)14-4-3-10-20(12-14)11-9-16(21)13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,19,22).
What are the key properties of N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide?
N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide is sourced from PubChem (CID 75472604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).