N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide

C23H25FN4O — CID 16673738

IUPACN-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C23H25FN4O/c1-18(29)26-23(20-8-3-4-9-21(20)24)11-15-27(16-12-23)17-19-7-2-5-10-22(19)28-14-6-13-25-28/h2-10,13-14H,11-12,15-17H2,1H3,(H,26,29)
InChIKeyUIPZMQCRSZMYMS-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.64
Rot. Bonds5

About N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide

N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 16673738) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID16673738
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C23H25FN4O/c1-18(29)26-23(20-8-3-4-9-21(20)24)11-15-27(16-12-23)17-19-7-2-5-10-22(19)28-14-6-13-25-28/h2-10,13-14H,11-12,15-17H2,1H3,(H,26,29)
InChIKeyUIPZMQCRSZMYMS-UHFFFAOYSA-N
XLogP3.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide (CID 16673738) is N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2-n2cccn2)CC1.
What is the InChIKey of N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is UIPZMQCRSZMYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-18(29)26-23(20-8-3-4-9-21(20)24)11-15-27(16-12-23)17-19-7-2-5-10-22(19)28-14-6-13-25-28/h2-10,13-14H,11-12,15-17H2,1H3,(H,26,29).
What are the key properties of N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 16673738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).