1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

C19H23FN4O2 — CID 24794338

IUPAC1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cn[nH]c1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H23FN4O2/c20-17-3-1-2-14(10-17)7-9-24-13-16(4-5-18(24)25)19(26)21-8-6-15-11-22-23-12-15/h1-3,10-12,16H,4-9,13H2,(H,21,26)(H,22,23)
InChIKeyRWKBVJNYBNTRFK-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.69
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 24794338) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID24794338
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cn[nH]c1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H23FN4O2/c20-17-3-1-2-14(10-17)7-9-24-13-16(4-5-18(24)25)19(26)21-8-6-15-11-22-23-12-15/h1-3,10-12,16H,4-9,13H2,(H,21,26)(H,22,23)
InChIKeyRWKBVJNYBNTRFK-UHFFFAOYSA-N
XLogP1.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 24794338) is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1cn[nH]c1)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is RWKBVJNYBNTRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-17-3-1-2-14(10-17)7-9-24-13-16(4-5-18(24)25)19(26)21-8-6-15-11-22-23-12-15/h1-3,10-12,16H,4-9,13H2,(H,21,26)(H,22,23).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24794338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).