N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C26H32N2O4S — CID 46410338

IUPACN-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H32N2O4S/c29-25(14-13-20-7-2-1-3-8-20)28-17-15-21(16-18-28)26(30)27-22-9-6-12-24(19-22)33(31,32)23-10-4-5-11-23/h1-3,6-9,12,19,21,23H,4-5,10-11,13-18H2,(H,27,30)
InChIKeyKPEJALXKTDWFOO-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.21
Rot. Bonds7

About N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 46410338) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID46410338
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H32N2O4S/c29-25(14-13-20-7-2-1-3-8-20)28-17-15-21(16-18-28)26(30)27-22-9-6-12-24(19-22)33(31,32)23-10-4-5-11-23/h1-3,6-9,12,19,21,23H,4-5,10-11,13-18H2,(H,27,30)
InChIKeyKPEJALXKTDWFOO-UHFFFAOYSA-N
XLogP4.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide
CID 55612776
1-[3-(methylsulfamoyl)phenyl]-3-[1-(3-phenylpropanoyl)piperidin-4-yl]urea
CID 47041937
methyl 3-[2-[3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]phenyl]ethynyl]benzoate
CID 55633143
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
N-[4-[2-[3-[cyclohexyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 44825733
N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 56588395
N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 119514987
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 46410338) is N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is KPEJALXKTDWFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S/c29-25(14-13-20-7-2-1-3-8-20)28-17-15-21(16-18-28)26(30)27-22-9-6-12-24(19-22)33(31,32)23-10-4-5-11-23/h1-3,6-9,12,19,21,23H,4-5,10-11,13-18H2,(H,27,30).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 46410338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).