N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide

C17H22F2N2O2 — CID 51192558

IUPACN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCC1CCCCN1C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O2/c1-2-13-5-3-4-10-21(13)16(22)8-9-20-17(23)14-7-6-12(18)11-15(14)19/h6-7,11,13H,2-5,8-10H2,1H3,(H,20,23)
InChIKeyQPFYSKBTXSNXSL-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.88
Rot. Bonds5

About N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 51192558) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID51192558
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCC1CCCCN1C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O2/c1-2-13-5-3-4-10-21(13)16(22)8-9-20-17(23)14-7-6-12(18)11-15(14)19/h6-7,11,13H,2-5,8-10H2,1H3,(H,20,23)
InChIKeyQPFYSKBTXSNXSL-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide
CID 86920465
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 43018890
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide
CID 55732235
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
CID 134020823
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(2,4-difluorophenyl)butane-1,4-dione
CID 119633981

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide (CID 51192558) is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide is CCC1CCCCN1C(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is QPFYSKBTXSNXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-2-13-5-3-4-10-21(13)16(22)8-9-20-17(23)14-7-6-12(18)11-15(14)19/h6-7,11,13H,2-5,8-10H2,1H3,(H,20,23).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 324.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 51192558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).