N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide

C18H23FN4O — CID 45248797

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCCN(Cc3ccccc3F)C2)n1
InChIInChI=1S/C18H23FN4O/c1-14-8-10-23(21-14)13-18(24)20-16-6-4-9-22(12-16)11-15-5-2-3-7-17(15)19/h2-3,5,7-8,10,16H,4,6,9,11-13H2,1H3,(H,20,24)
InChIKeyKWRCEIWRKWIXLD-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.11
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 45248797) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID45248797
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCCN(Cc3ccccc3F)C2)n1
InChIInChI=1S/C18H23FN4O/c1-14-8-10-23(21-14)13-18(24)20-16-6-4-9-22(12-16)11-15-5-2-3-7-17(15)19/h2-3,5,7-8,10,16H,4,6,9,11-13H2,1H3,(H,20,24)
InChIKeyKWRCEIWRKWIXLD-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide (CID 45248797) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)NC2CCCN(Cc3ccccc3F)C2)n1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is KWRCEIWRKWIXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-14-8-10-23(21-14)13-18(24)20-16-6-4-9-22(12-16)11-15-5-2-3-7-17(15)19/h2-3,5,7-8,10,16H,4,6,9,11-13H2,1H3,(H,20,24).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 45248797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).