N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide

C23H33FN4OS — CID 126464674

IUPACN-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C23H33FN4OS/c1-26-16-19(15-25-26)17-28-11-8-20(9-12-28)22(27(2)23(29)10-13-30-3)14-18-4-6-21(24)7-5-18/h4-7,15-16,20,22H,8-14,17H2,1-3H3
InChIKeyZCTCUJUAENZRGS-UHFFFAOYSA-N
MW432.61 g/mol
LogP3.59
Rot. Bonds9

About N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide

N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide (PubChem CID 126464674) has the molecular formula C23H33FN4OS and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide
PubChem CID126464674
Molecular FormulaC23H33FN4OS
Molecular Weight432.61 g/mol
Exact Mass432.24
IUPAC NameN-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C23H33FN4OS/c1-26-16-19(15-25-26)17-28-11-8-20(9-12-28)22(27(2)23(29)10-13-30-3)14-18-4-6-21(24)7-5-18/h4-7,15-16,20,22H,8-14,17H2,1-3H3
InChIKeyZCTCUJUAENZRGS-UHFFFAOYSA-N
XLogP3.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide with MolForge

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Related Compounds

1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(1-piperidinylcarbonyl)piperidine
CID 16189158
1-[2-(3-fluorophenyl)ethyl]-N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24790341
1-[(3-fluorophenyl)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24790670
US10617680, Example 21
CID 135355395
US10617680, Example 26
CID 135355442
US10617680, Example 30
CID 135355260
US10617680, Example 168
CID 135355552
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790448

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide (CID 126464674) is N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide is CSCCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(Cc2cnn(C)c2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is ZCTCUJUAENZRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4OS/c1-26-16-19(15-25-26)17-28-11-8-20(9-12-28)22(27(2)23(29)10-13-30-3)14-18-4-6-21(24)7-5-18/h4-7,15-16,20,22H,8-14,17H2,1-3H3.
What are the key properties of N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide?
N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 432.61 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 126464674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).