(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide

C23H26FN3O4S — CID 92714866

IUPAC(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4F)C3)ccc21
InChIInChI=1S/C23H26FN3O4S/c1-16(28)27-13-5-6-17-14-19(10-11-22(17)27)32(30,31)26-12-4-7-18(15-26)23(29)25-21-9-3-2-8-20(21)24/h2-3,8-11,14,18H,4-7,12-13,15H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyGMTOZUTUPULPLV-GOSISDBHSA-N
MW459.54 g/mol
LogP3.16
Rot. Bonds4

About (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide

(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 92714866) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
PubChem CID92714866
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4F)C3)ccc21
InChIInChI=1S/C23H26FN3O4S/c1-16(28)27-13-5-6-17-14-19(10-11-22(17)27)32(30,31)26-12-4-7-18(15-26)23(29)25-21-9-3-2-8-20(21)24/h2-3,8-11,14,18H,4-7,12-13,15H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyGMTOZUTUPULPLV-GOSISDBHSA-N
XLogP3.16
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 22583508
(3S)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-bromophenyl)piperidine-3-carboxamide
CID 92714921
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 46361676
(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-[(2S)-butan-2-yl]piperidine-3-carboxamide
CID 92714855
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46361677
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 22583517
(3R)-N-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302559
N-(1-acetyl-2,3-dihydroindol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 167840298
1-acetyl-N-(2-fluorophenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956540
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 22583528
N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 126458308
(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 92714924

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide (CID 92714866) is (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide is CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4F)C3)ccc21.
What is the InChIKey of (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is GMTOZUTUPULPLV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-16(28)27-13-5-6-17-14-19(10-11-22(17)27)32(30,31)26-12-4-7-18(15-26)23(29)25-21-9-3-2-8-20(21)24/h2-3,8-11,14,18H,4-7,12-13,15H2,1H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide?
(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 459.54 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92714866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).