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

C17H21FN4O — CID 119068979

IUPACN-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(C2CCCNC2)n1)NCc1cccc(F)c1
InChIInChI=1S/C17H21FN4O/c18-15-5-1-3-13(9-15)10-20-17(23)12-22-8-6-16(21-22)14-4-2-7-19-11-14/h1,3,5-6,8-9,14,19H,2,4,7,10-12H2,(H,20,23)
InChIKeyWDNDLJXJPJYHCU-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.81
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide (PubChem CID 119068979) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
PubChem CID119068979
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(C2CCCNC2)n1)NCc1cccc(F)c1
InChIInChI=1S/C17H21FN4O/c18-15-5-1-3-13(9-15)10-20-17(23)12-22-8-6-16(21-22)14-4-2-7-19-11-14/h1,3,5-6,8-9,14,19H,2,4,7,10-12H2,(H,20,23)
InChIKeyWDNDLJXJPJYHCU-UHFFFAOYSA-N
XLogP1.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126442555
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448055
N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126443272
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069734
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride
CID 154905231
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 126423858
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119072989
N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551
N-(3-phenylsulfanylpropyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126424954

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide (CID 119068979) is N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide is O=C(Cn1ccc(C2CCCNC2)n1)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The InChIKey is WDNDLJXJPJYHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-15-5-1-3-13(9-15)10-20-17(23)12-22-8-6-16(21-22)14-4-2-7-19-11-14/h1,3,5-6,8-9,14,19H,2,4,7,10-12H2,(H,20,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 119068979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).