N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C18H21FN4O2 — CID 53185295

IUPACN-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C18H21FN4O2/c1-12(24)20-10-18(25)23-8-2-3-14(11-23)17-9-16(21-22-17)13-4-6-15(19)7-5-13/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyQZAYLDGVWNTYGO-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.06
Rot. Bonds4

About N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 53185295) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID53185295
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C18H21FN4O2/c1-12(24)20-10-18(25)23-8-2-3-14(11-23)17-9-16(21-22-17)13-4-6-15(19)7-5-13/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyQZAYLDGVWNTYGO-UHFFFAOYSA-N
XLogP2.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 53185295) is N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is QZAYLDGVWNTYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12(24)20-10-18(25)23-8-2-3-14(11-23)17-9-16(21-22-17)13-4-6-15(19)7-5-13/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 53185295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).