2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

C32H28FN3O6S — CID 58073326

IUPAC2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(S(=O)(=O)c5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C32H28FN3O6S/c1-42-26-8-3-22(4-9-26)31(38)23-14-16-36(17-15-23)32(39)28-12-5-24(20-34-28)29(37)18-21-2-13-30(35-19-21)43(40,41)27-10-6-25(33)7-11-27/h2-13,19-20,23H,14-18H2,1H3
InChIKeyXKWMOAWENNBRLP-UHFFFAOYSA-N
MW601.66 g/mol
LogP4.62
Rot. Bonds9

About 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (PubChem CID 58073326) has the molecular formula C32H28FN3O6S and a molecular weight of 601.66 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
PubChem CID58073326
Molecular FormulaC32H28FN3O6S
Molecular Weight601.66 g/mol
Exact Mass601.17
IUPAC Name2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(S(=O)(=O)c5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C32H28FN3O6S/c1-42-26-8-3-22(4-9-26)31(38)23-14-16-36(17-15-23)32(39)28-12-5-24(20-34-28)29(37)18-21-2-13-30(35-19-21)43(40,41)27-10-6-25(33)7-11-27/h2-13,19-20,23H,14-18H2,1H3
InChIKeyXKWMOAWENNBRLP-UHFFFAOYSA-N
XLogP4.62
TPSA123.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.66
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile
CID 58073183
2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 160983492
2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073200
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710292
2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 159093164
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073222
N-[6-(4-fluorophenoxy)-3-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710529
1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073229
tert-butyl (3S)-3-fluoro-4-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate
CID 58073237
2-[(3S)-3-fluoro-1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073404
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
2-[(3R,5S)-3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 161466612

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (CID 58073326) is 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(S(=O)(=O)c5ccc(F)cc5)nc4)cn3)CC2)cc1.
What is the InChIKey of 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The InChIKey is XKWMOAWENNBRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O6S/c1-42-26-8-3-22(4-9-26)31(38)23-14-16-36(17-15-23)32(39)28-12-5-24(20-34-28)29(37)18-21-2-13-30(35-19-21)43(40,41)27-10-6-25(33)7-11-27/h2-13,19-20,23H,14-18H2,1H3.
What are the key properties of 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone has a molecular weight of 601.66 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 58073326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).