N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

C24H25FN4O3 — CID 24790072

IUPACN-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C24H25FN4O3/c1-32-22(17-6-3-2-4-7-17)23(30)27-21-10-13-26-29(21)20-11-14-28(15-12-20)24(31)18-8-5-9-19(25)16-18/h2-10,13,16,20,22H,11-12,14-15H2,1H3,(H,27,30)
InChIKeyXMMJMZKRTHFSMD-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.83
Rot. Bonds6

About N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 24790072) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID24790072
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C24H25FN4O3/c1-32-22(17-6-3-2-4-7-17)23(30)27-21-10-13-26-29(21)20-11-14-28(15-12-20)24(31)18-8-5-9-19(25)16-18/h2-10,13,16,20,22H,11-12,14-15H2,1H3,(H,27,30)
InChIKeyXMMJMZKRTHFSMD-UHFFFAOYSA-N
XLogP3.83
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 24790072) is N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is XMMJMZKRTHFSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-32-22(17-6-3-2-4-7-17)23(30)27-21-10-13-26-29(21)20-11-14-28(15-12-20)24(31)18-8-5-9-19(25)16-18/h2-10,13,16,20,22H,11-12,14-15H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 436.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 24790072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).