N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide

C24H28FN3O4S — CID 46431291

IUPACN-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O4S/c25-20-10-8-18(9-11-20)23(29)26-21-12-15-27(16-13-21)24(30)19-5-4-14-28(17-19)33(31,32)22-6-2-1-3-7-22/h1-3,6-11,19,21H,4-5,12-17H2,(H,26,29)
InChIKeyOWKKXABWDHZNKQ-UHFFFAOYSA-N
MW473.57 g/mol
LogP2.65
Rot. Bonds5

About N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 46431291) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID46431291
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC NameN-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O4S/c25-20-10-8-18(9-11-20)23(29)26-21-12-15-27(16-13-21)24(30)19-5-4-14-28(17-19)33(31,32)22-6-2-1-3-7-22/h1-3,6-11,19,21H,4-5,12-17H2,(H,26,29)
InChIKeyOWKKXABWDHZNKQ-UHFFFAOYSA-N
XLogP2.65
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
CID 42959145
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 5033864
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55690874
N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168196
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide (CID 46431291) is N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide is O=C(NC1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is OWKKXABWDHZNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c25-20-10-8-18(9-11-20)23(29)26-21-12-15-27(16-13-21)24(30)19-5-4-14-28(17-19)33(31,32)22-6-2-1-3-7-22/h1-3,6-11,19,21H,4-5,12-17H2,(H,26,29).
What are the key properties of N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 473.57 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 46431291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).