N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide

C18H24N4O2 — CID 119072989

IUPACN-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(C2CCCNC2)n1)NCCOc1ccccc1
InChIInChI=1S/C18H24N4O2/c23-18(20-10-12-24-16-6-2-1-3-7-16)14-22-11-8-17(21-22)15-5-4-9-19-13-15/h1-3,6-8,11,15,19H,4-5,9-10,12-14H2,(H,20,23)
InChIKeyDUBODSLJINNIDK-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.55
Rot. Bonds7

About N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide

N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide (PubChem CID 119072989) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
PubChem CID119072989
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(C2CCCNC2)n1)NCCOc1ccccc1
InChIInChI=1S/C18H24N4O2/c23-18(20-10-12-24-16-6-2-1-3-7-16)14-22-11-8-17(21-22)15-5-4-9-19-13-15/h1-3,6-8,11,15,19H,4-5,9-10,12-14H2,(H,20,23)
InChIKeyDUBODSLJINNIDK-UHFFFAOYSA-N
XLogP1.55
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylsulfanylpropyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126424954
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126438280
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126443272
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
CID 126444957
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428752
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069734
N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126442555
N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068979

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide (CID 119072989) is N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide is O=C(Cn1ccc(C2CCCNC2)n1)NCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The InChIKey is DUBODSLJINNIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(20-10-12-24-16-6-2-1-3-7-16)14-22-11-8-17(21-22)15-5-4-9-19-13-15/h1-3,6-8,11,15,19H,4-5,9-10,12-14H2,(H,20,23).
What are the key properties of N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 119072989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).