1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C18H21FN4O2 — CID 24794256

IUPAC1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)cn1
InChIInChI=1S/C18H21FN4O2/c1-22-10-13(9-21-22)8-20-18(25)15-6-7-17(24)23(12-15)11-14-4-2-3-5-16(14)19/h2-5,9-10,15H,6-8,11-12H2,1H3,(H,20,25)
InChIKeyRJGREBSGDUSFSR-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.61
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24794256) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24794256
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)cn1
InChIInChI=1S/C18H21FN4O2/c1-22-10-13(9-21-22)8-20-18(25)15-6-7-17(24)23(12-15)11-14-4-2-3-5-16(14)19/h2-5,9-10,15H,6-8,11-12H2,1H3,(H,20,25)
InChIKeyRJGREBSGDUSFSR-UHFFFAOYSA-N
XLogP1.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24794256) is 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is Cn1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)cn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RJGREBSGDUSFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-22-10-13(9-21-22)8-20-18(25)15-6-7-17(24)23(12-15)11-14-4-2-3-5-16(14)19/h2-5,9-10,15H,6-8,11-12H2,1H3,(H,20,25).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).