N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide

C33H39F2N3O2 — CID 16756072

IUPACN-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C33H39F2N3O2/c1-22(2)32(39)37-29-14-5-23(3)30(21-29)24-15-19-38(20-16-24)18-4-17-36-33(40)31(25-6-10-27(34)11-7-25)26-8-12-28(35)13-9-26/h5-14,21-22,24,31H,4,15-20H2,1-3H3,(H,36,40)(H,37,39)
InChIKeyOJVUOPKFXPMGGA-UHFFFAOYSA-N
MW547.69 g/mol
LogP6.39
Rot. Bonds10

About N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide

N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide (PubChem CID 16756072) has the molecular formula C33H39F2N3O2 and a molecular weight of 547.69 g/mol. Its IUPAC name is N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
PubChem CID16756072
Molecular FormulaC33H39F2N3O2
Molecular Weight547.69 g/mol
Exact Mass547.30
IUPAC NameN-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C33H39F2N3O2/c1-22(2)32(39)37-29-14-5-23(3)30(21-29)24-15-19-38(20-16-24)18-4-17-36-33(40)31(25-6-10-27(34)11-7-25)26-8-12-28(35)13-9-26/h5-14,21-22,24,31H,4,15-20H2,1-3H3,(H,36,40)(H,37,39)
InChIKeyOJVUOPKFXPMGGA-UHFFFAOYSA-N
XLogP6.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.69
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide 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-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide (CID 16756072) is N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is OJVUOPKFXPMGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F2N3O2/c1-22(2)32(39)37-29-14-5-23(3)30(21-29)24-15-19-38(20-16-24)18-4-17-36-33(40)31(25-6-10-27(34)11-7-25)26-8-12-28(35)13-9-26/h5-14,21-22,24,31H,4,15-20H2,1-3H3,(H,36,40)(H,37,39).
What are the key properties of N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 547.69 g/mol, XLogP of 6.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 16756072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).