N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide

C27H35F2N3O3S — CID 167676993

IUPACN-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
SMILESCC(F)(F)C1CCN(c2ccc(S(=O)(=O)N3CCCC(NC(=O)CCc4ccccc4)C3)cc2)CC1
InChIInChI=1S/C27H35F2N3O3S/c1-27(28,29)22-15-18-31(19-16-22)24-10-12-25(13-11-24)36(34,35)32-17-5-8-23(20-32)30-26(33)14-9-21-6-3-2-4-7-21/h2-4,6-7,10-13,22-23H,5,8-9,14-20H2,1H3,(H,30,33)
InChIKeyCTFNKVNHVPXPOJ-UHFFFAOYSA-N
MW519.66 g/mol
LogP4.46
Rot. Bonds8

About N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide

N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide (PubChem CID 167676993) has the molecular formula C27H35F2N3O3S and a molecular weight of 519.66 g/mol. Its IUPAC name is N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
PubChem CID167676993
Molecular FormulaC27H35F2N3O3S
Molecular Weight519.66 g/mol
Exact Mass519.24
IUPAC NameN-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
SMILESCC(F)(F)C1CCN(c2ccc(S(=O)(=O)N3CCCC(NC(=O)CCc4ccccc4)C3)cc2)CC1
InChIInChI=1S/C27H35F2N3O3S/c1-27(28,29)22-15-18-31(19-16-22)24-10-12-25(13-11-24)36(34,35)32-17-5-8-23(20-32)30-26(33)14-9-21-6-3-2-4-7-21/h2-4,6-7,10-13,22-23H,5,8-9,14-20H2,1H3,(H,30,33)
InChIKeyCTFNKVNHVPXPOJ-UHFFFAOYSA-N
XLogP4.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.66
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide (CID 167676993) is N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide is CC(F)(F)C1CCN(c2ccc(S(=O)(=O)N3CCCC(NC(=O)CCc4ccccc4)C3)cc2)CC1.
What is the InChIKey of N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide?
The InChIKey is CTFNKVNHVPXPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F2N3O3S/c1-27(28,29)22-15-18-31(19-16-22)24-10-12-25(13-11-24)36(34,35)32-17-5-8-23(20-32)30-26(33)14-9-21-6-3-2-4-7-21/h2-4,6-7,10-13,22-23H,5,8-9,14-20H2,1H3,(H,30,33).
What are the key properties of N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide?
N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide has a molecular weight of 519.66 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 167676993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).