N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide

C19H25FN4O — CID 126443272

IUPACN-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCCc1ccccc1F
InChIInChI=1S/C19H25FN4O/c20-17-8-2-1-5-15(17)6-4-11-22-19(25)14-24-12-9-18(23-24)16-7-3-10-21-13-16/h1-2,5,8-9,12,16,21H,3-4,6-7,10-11,13-14H2,(H,22,25)/t16-/m1/s1
InChIKeyPFKGYIIHVJHLLC-MRXNPFEDSA-N
MW344.43 g/mol
LogP2.24
Rot. Bonds7

About N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126443272) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126443272
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCCc1ccccc1F
InChIInChI=1S/C19H25FN4O/c20-17-8-2-1-5-15(17)6-4-11-22-19(25)14-24-12-9-18(23-24)16-7-3-10-21-13-16/h1-2,5,8-9,12,16,21H,3-4,6-7,10-11,13-14H2,(H,22,25)/t16-/m1/s1
InChIKeyPFKGYIIHVJHLLC-MRXNPFEDSA-N
XLogP2.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514
N-(3-phenylsulfanylpropyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126424954
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119072989
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
CID 126444957
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
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448055
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride
CID 154905231
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428752

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126443272) is N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide is O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCCc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is PFKGYIIHVJHLLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25FN4O/c20-17-8-2-1-5-15(17)6-4-11-22-19(25)14-24-12-9-18(23-24)16-7-3-10-21-13-16/h1-2,5,8-9,12,16,21H,3-4,6-7,10-11,13-14H2,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126443272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).