2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

C22H24FN3O2 — CID 141265536

IUPAC2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C1CCc2ccc(CN3CCC(NC(=O)c4ccccc4F)CC3)cc2N1
InChIInChI=1S/C22H24FN3O2/c23-19-4-2-1-3-18(19)22(28)24-17-9-11-26(12-10-17)14-15-5-6-16-7-8-21(27)25-20(16)13-15/h1-6,13,17H,7-12,14H2,(H,24,28)(H,25,27)
InChIKeyGWLDWJXDCNXIFS-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.10
Rot. Bonds4

About 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 141265536) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
PubChem CID141265536
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C1CCc2ccc(CN3CCC(NC(=O)c4ccccc4F)CC3)cc2N1
InChIInChI=1S/C22H24FN3O2/c23-19-4-2-1-3-18(19)22(28)24-17-9-11-26(12-10-17)14-15-5-6-16-7-8-21(27)25-20(16)13-15/h1-6,13,17H,7-12,14H2,(H,24,28)(H,25,27)
InChIKeyGWLDWJXDCNXIFS-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45256359
3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45255793
N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 142763739
3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45256172
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265537
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 87283781
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 84591356
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (CID 141265536) is 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is O=C1CCc2ccc(CN3CCC(NC(=O)c4ccccc4F)CC3)cc2N1.
What is the InChIKey of 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is GWLDWJXDCNXIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-19-4-2-1-3-18(19)22(28)24-17-9-11-26(12-10-17)14-15-5-6-16-7-8-21(27)25-20(16)13-15/h1-6,13,17H,7-12,14H2,(H,24,28)(H,25,27).
What are the key properties of 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 381.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 141265536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).