1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one

C18H26FN3O3S — CID 110342628

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)N1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O3S/c19-16-4-6-17(7-5-16)20-11-13-21(14-12-20)18(23)8-15-26(24,25)22-9-2-1-3-10-22/h4-7H,1-3,8-15H2
InChIKeyYNAQEKJTDJZDAS-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.68
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one (PubChem CID 110342628) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
PubChem CID110342628
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)N1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O3S/c19-16-4-6-17(7-5-16)20-11-13-21(14-12-20)18(23)8-15-26(24,25)22-9-2-1-3-10-22/h4-7H,1-3,8-15H2
InChIKeyYNAQEKJTDJZDAS-UHFFFAOYSA-N
XLogP1.68
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 7177743
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-4-pyrrolidin-1-ylpentan-1-one
CID 91785686
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
CID 45374724
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
CID 82121619
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 16801509
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one (CID 110342628) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one is O=C(CCS(=O)(=O)N1CCCCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one?
The InChIKey is YNAQEKJTDJZDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c19-16-4-6-17(7-5-16)20-11-13-21(14-12-20)18(23)8-15-26(24,25)22-9-2-1-3-10-22/h4-7H,1-3,8-15H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one has a molecular weight of 383.49 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one is sourced from PubChem (CID 110342628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).