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

C17H21FN4O — CID 126442555

IUPACN-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)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)/t14-/m0/s1
InChIKeyWDNDLJXJPJYHCU-AWEZNQCLSA-N
MW316.38 g/mol
LogP1.81
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126442555) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126442555
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)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)/t14-/m0/s1
InChIKeyWDNDLJXJPJYHCU-AWEZNQCLSA-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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126442555) is N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is O=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is WDNDLJXJPJYHCU-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-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-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126442555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).