N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

C22H23F2N3O2 — CID 126794474

IUPACN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C1CCc2cc(NC(=O)C3CCCN(Cc4cccc(F)c4)C3)c(F)cc2N1
InChIInChI=1S/C22H23F2N3O2/c23-17-5-1-3-14(9-17)12-27-8-2-4-16(13-27)22(29)26-20-10-15-6-7-21(28)25-19(15)11-18(20)24/h1,3,5,9-11,16H,2,4,6-8,12-13H2,(H,25,28)(H,26,29)
InChIKeyUFOYYRYHGZQLSZ-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.70
Rot. Bonds4

About N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 126794474) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID126794474
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C1CCc2cc(NC(=O)C3CCCN(Cc4cccc(F)c4)C3)c(F)cc2N1
InChIInChI=1S/C22H23F2N3O2/c23-17-5-1-3-14(9-17)12-27-8-2-4-16(13-27)22(29)26-20-10-15-6-7-21(28)25-19(15)11-18(20)24/h1,3,5,9-11,16H,2,4,6-8,12-13H2,(H,25,28)(H,26,29)
InChIKeyUFOYYRYHGZQLSZ-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide
CID 95275205
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674429
1-[(3-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119448544
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 126794474) is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is O=C1CCc2cc(NC(=O)C3CCCN(Cc4cccc(F)c4)C3)c(F)cc2N1.
What is the InChIKey of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UFOYYRYHGZQLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-17-5-1-3-14(9-17)12-27-8-2-4-16(13-27)22(29)26-20-10-15-6-7-21(28)25-19(15)11-18(20)24/h1,3,5,9-11,16H,2,4,6-8,12-13H2,(H,25,28)(H,26,29).
What are the key properties of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 126794474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).