2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide

C17H22F2N2O2 — CID 51192571

IUPAC2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
SMILESCC1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C17H22F2N2O2/c1-12-4-3-9-21(11-12)16(22)5-2-8-20-17(23)14-7-6-13(18)10-15(14)19/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,20,23)
InChIKeyXHQJFAXVFANQQI-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.73
Rot. Bonds5

About 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide

2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide (PubChem CID 51192571) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
PubChem CID51192571
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
SMILESCC1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C17H22F2N2O2/c1-12-4-3-9-21(11-12)16(22)5-2-8-20-17(23)14-7-6-13(18)10-15(14)19/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,20,23)
InChIKeyXHQJFAXVFANQQI-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 119411680
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 119485573
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
CID 134020823
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]-2,4-difluorobenzamide;hydrochloride
CID 119416755
2,4-difluoro-N-[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]-4-oxobutyl]benzamide
CID 56503549
N-[4-[4-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide;hydrochloride
CID 119423550
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 43018890
2,4-difluoro-N-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]benzamide
CID 55550622
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890
2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
CID 32917114

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide (CID 51192571) is 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide is CC1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide?
The InChIKey is XHQJFAXVFANQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-12-4-3-9-21(11-12)16(22)5-2-8-20-17(23)14-7-6-13(18)10-15(14)19/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,20,23).
What are the key properties of 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide has a molecular weight of 324.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide is sourced from PubChem (CID 51192571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).