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

C31H37FN2O3S — CID 91044067

IUPACN-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
SMILESCCC(C(=O)NC1CCN(CCC(c2ccccc2)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C31H37FN2O3S/c1-3-29(24-11-15-28(16-12-24)38(2,36)37)31(35)33-27-17-20-34(21-18-27)22-19-30(23-7-5-4-6-8-23)25-9-13-26(32)14-10-25/h4-16,27,29-30H,3,17-22H2,1-2H3,(H,33,35)
InChIKeyONWSOKATAIKSKR-UHFFFAOYSA-N
MW536.71 g/mol
LogP5.53
Rot. Bonds10

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

N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide (PubChem CID 91044067) has the molecular formula C31H37FN2O3S and a molecular weight of 536.71 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
PubChem CID91044067
Molecular FormulaC31H37FN2O3S
Molecular Weight536.71 g/mol
Exact Mass536.25
IUPAC NameN-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
SMILESCCC(C(=O)NC1CCN(CCC(c2ccccc2)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C31H37FN2O3S/c1-3-29(24-11-15-28(16-12-24)38(2,36)37)31(35)33-27-17-20-34(21-18-27)22-19-30(23-7-5-4-6-8-23)25-9-13-26(32)14-10-25/h4-16,27,29-30H,3,17-22H2,1-2H3,(H,33,35)
InChIKeyONWSOKATAIKSKR-UHFFFAOYSA-N
XLogP5.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.71
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91334226
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
2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide
CID 91064573
tert-butyl N-[1-cyclohexyl-3-[4-[2-(4-methylsulfonylphenyl)butanoylamino]piperidin-1-yl]propyl]carbamate
CID 90700041
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide
CID 91051221
tert-butyl 2-amino-2-cyclohexyl-4-[4-[2-(4-methylsulfonylphenyl)butanoylamino]piperidin-1-yl]butanoate
CID 91505880
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 25205608
N-cycloheptyl-2-phenylbutanamide
CID 2890971
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-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide?
The IUPAC name of N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide (CID 91044067) is N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide.
What is the SMILES notation for N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide?
The canonical SMILES for N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide is CCC(C(=O)NC1CCN(CCC(c2ccccc2)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide?
The InChIKey is ONWSOKATAIKSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN2O3S/c1-3-29(24-11-15-28(16-12-24)38(2,36)37)31(35)33-27-17-20-34(21-18-27)22-19-30(23-7-5-4-6-8-23)25-9-13-26(32)14-10-25/h4-16,27,29-30H,3,17-22H2,1-2H3,(H,33,35).
What are the key properties of N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide?
N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide has a molecular weight of 536.71 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 91044067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).