1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C19H23FN4O — CID 56827310

IUPAC1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNCc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O/c20-17-6-2-1-4-15(17)12-22-13-16-5-3-9-23-19(16)24-10-7-14(8-11-24)18(21)25/h1-6,9,14,22H,7-8,10-13H2,(H2,21,25)
InChIKeyGDXOIWCBTNCLFO-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.21
Rot. Bonds6

About 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 56827310) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID56827310
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNCc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O/c20-17-6-2-1-4-15(17)12-22-13-16-5-3-9-23-19(16)24-10-7-14(8-11-24)18(21)25/h1-6,9,14,22H,7-8,10-13H2,(H2,21,25)
InChIKeyGDXOIWCBTNCLFO-UHFFFAOYSA-N
XLogP2.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 56827310) is 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncccc2CNCc2ccccc2F)CC1.
What is the InChIKey of 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is GDXOIWCBTNCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-17-6-2-1-4-15(17)12-22-13-16-5-3-9-23-19(16)24-10-7-14(8-11-24)18(21)25/h1-6,9,14,22H,7-8,10-13H2,(H2,21,25).
What are the key properties of 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 56827310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).