N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide

C18H22N4O2 — CID 53185283

IUPACN-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C18H22N4O2/c1-13(23)19-11-18(24)22-9-5-8-15(12-22)17-10-16(20-21-17)14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyUBWKSNZULDCRTR-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.92
Rot. Bonds4

About N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide

N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide (PubChem CID 53185283) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide
PubChem CID53185283
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C18H22N4O2/c1-13(23)19-11-18(24)22-9-5-8-15(12-22)17-10-16(20-21-17)14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyUBWKSNZULDCRTR-UHFFFAOYSA-N
XLogP1.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide (CID 53185283) is N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide is CC(=O)NCC(=O)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is UBWKSNZULDCRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(23)19-11-18(24)22-9-5-8-15(12-22)17-10-16(20-21-17)14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide?
N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 53185283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).