N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide

C27H33FN4O — CID 14660434

IUPACN-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2nc(C)cc2C)CC1
InChIInChI=1S/C27H33FN4O/c1-4-26(33)32(25-13-9-8-12-24(25)28)27(23-10-6-5-7-11-23)14-16-30(17-15-27)18-19-31-22(3)20-21(2)29-31/h5-13,20H,4,14-19H2,1-3H3
InChIKeyVPSBTNGWAWDYKJ-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.07
Rot. Bonds7

About N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide

N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 14660434) has the molecular formula C27H33FN4O and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide
PubChem CID14660434
Molecular FormulaC27H33FN4O
Molecular Weight448.59 g/mol
Exact Mass448.26
IUPAC NameN-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2nc(C)cc2C)CC1
InChIInChI=1S/C27H33FN4O/c1-4-26(33)32(25-13-9-8-12-24(25)28)27(23-10-6-5-7-11-23)14-16-30(17-15-27)18-19-31-22(3)20-21(2)29-31/h5-13,20H,4,14-19H2,1-3H3
InChIKeyVPSBTNGWAWDYKJ-UHFFFAOYSA-N
XLogP5.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide 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-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide (CID 14660434) is N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide is CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2nc(C)cc2C)CC1.
What is the InChIKey of N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is VPSBTNGWAWDYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O/c1-4-26(33)32(25-13-9-8-12-24(25)28)27(23-10-6-5-7-11-23)14-16-30(17-15-27)18-19-31-22(3)20-21(2)29-31/h5-13,20H,4,14-19H2,1-3H3.
What are the key properties of N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide?
N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 448.59 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 14660434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).