4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide

C18H25FN4O4S — CID 43056183

IUPAC4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(F)c1
InChIInChI=1S/C18H25FN4O4S/c1-13(24)15-2-3-17(16(19)12-15)21-8-10-22(11-9-21)18(25)14-4-6-23(7-5-14)28(20,26)27/h2-3,12,14H,4-11H2,1H3,(H2,20,26,27)
InChIKeyZYPRSEUAPGGXLA-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.59
Rot. Bonds4

About 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide

4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide (PubChem CID 43056183) has the molecular formula C18H25FN4O4S and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide
PubChem CID43056183
Molecular FormulaC18H25FN4O4S
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(F)c1
InChIInChI=1S/C18H25FN4O4S/c1-13(24)15-2-3-17(16(19)12-15)21-8-10-22(11-9-21)18(25)14-4-6-23(7-5-14)28(20,26)27/h2-3,12,14H,4-11H2,1H3,(H2,20,26,27)
InChIKeyZYPRSEUAPGGXLA-UHFFFAOYSA-N
XLogP0.59
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 17448030
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-fluorobenzoic acid
CID 176582674
1-[4-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 43058845
4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 55611581
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 119837015
1-[3-fluoro-4-[4-[2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 51292338
1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
CID 114237147
1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
CID 62091090
1-[4-[4-(4,4-difluorocyclohexanecarbonyl)piperazin-1-yl]-3-fluorophenyl]butan-1-one
CID 155658944
1-[4-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 55607675
1-[4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836968

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide?
The IUPAC name of 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide (CID 43056183) is 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide is CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(F)c1.
What is the InChIKey of 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide?
The InChIKey is ZYPRSEUAPGGXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O4S/c1-13(24)15-2-3-17(16(19)12-15)21-8-10-22(11-9-21)18(25)14-4-6-23(7-5-14)28(20,26)27/h2-3,12,14H,4-11H2,1H3,(H2,20,26,27).
What are the key properties of 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide?
4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide has a molecular weight of 412.49 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43056183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).