N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide

C25H33FN2O4S — CID 91334226

IUPACN-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
SMILESCCC(C(=O)NC1CCN(CCC(O)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H33FN2O4S/c1-3-23(18-6-10-22(11-7-18)33(2,31)32)25(30)27-21-12-15-28(16-13-21)17-14-24(29)19-4-8-20(26)9-5-19/h4-11,21,23-24,29H,3,12-17H2,1-2H3,(H,27,30)
InChIKeyTYBUGVQUDYJIDP-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.43
Rot. Bonds9

About N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide

N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide (PubChem CID 91334226) has the molecular formula C25H33FN2O4S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
PubChem CID91334226
Molecular FormulaC25H33FN2O4S
Molecular Weight476.61 g/mol
Exact Mass476.21
IUPAC NameN-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
SMILESCCC(C(=O)NC1CCN(CCC(O)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H33FN2O4S/c1-3-23(18-6-10-22(11-7-18)33(2,31)32)25(30)27-21-12-15-28(16-13-21)17-14-24(29)19-4-8-20(26)9-5-19/h4-11,21,23-24,29H,3,12-17H2,1-2H3,(H,27,30)
InChIKeyTYBUGVQUDYJIDP-UHFFFAOYSA-N
XLogP3.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3,3-bis(4-fluorophenyl)propyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91401261
N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91044067
N-[1-[3-(4-fluorophenyl)-3-hydroxy-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91030065
N-[1-(3-amino-3-cyclohexylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91163717
tert-butyl N-[1-cyclohexyl-3-[4-[2-(4-methylsulfonylphenyl)butanoylamino]piperidin-1-yl]propyl]carbamate
CID 90700041
tert-butyl 2-amino-2-cyclohexyl-4-[4-[2-(4-methylsulfonylphenyl)butanoylamino]piperidin-1-yl]butanoate
CID 91505880
1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82265087
2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide
CID 91064573
3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide
CID 91262945

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide?
The IUPAC name of N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide (CID 91334226) is N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide.
What is the SMILES notation for N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide?
The canonical SMILES for N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide is CCC(C(=O)NC1CCN(CCC(O)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide?
The InChIKey is TYBUGVQUDYJIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O4S/c1-3-23(18-6-10-22(11-7-18)33(2,31)32)25(30)27-21-12-15-28(16-13-21)17-14-24(29)19-4-8-20(26)9-5-19/h4-11,21,23-24,29H,3,12-17H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide?
N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide has a molecular weight of 476.61 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 91334226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).