[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone

C23H32FN3O4S — CID 55406673

IUPAC[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1)N1CCCCC1
InChIInChI=1S/C23H32FN3O4S/c24-20-6-8-21(9-7-20)32(30,31)27-14-4-5-19(17-27)23(29)26-15-10-18(11-16-26)22(28)25-12-2-1-3-13-25/h6-9,18-19H,1-5,10-17H2
InChIKeyYHQZCXHJOKVQCZ-UHFFFAOYSA-N
MW465.59 g/mol
LogP2.48
Rot. Bonds4

About [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 55406673) has the molecular formula C23H32FN3O4S and a molecular weight of 465.59 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID55406673
Molecular FormulaC23H32FN3O4S
Molecular Weight465.59 g/mol
Exact Mass465.21
IUPAC Name[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1)N1CCCCC1
InChIInChI=1S/C23H32FN3O4S/c24-20-6-8-21(9-7-20)32(30,31)27-14-4-5-19(17-27)23(29)26-15-10-18(11-16-26)22(28)25-12-2-1-3-13-25/h6-9,18-19H,1-5,10-17H2
InChIKeyYHQZCXHJOKVQCZ-UHFFFAOYSA-N
XLogP2.48
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[(4S)-4-(piperidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 51728293
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
CID 110246552
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55836291

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 55406673) is [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1)N1CCCCC1.
What is the InChIKey of [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is YHQZCXHJOKVQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4S/c24-20-6-8-21(9-7-20)32(30,31)27-14-4-5-19(17-27)23(29)26-15-10-18(11-16-26)22(28)25-12-2-1-3-13-25/h6-9,18-19H,1-5,10-17H2.
What are the key properties of [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 465.59 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 55406673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).