1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H20FN3O2 — CID 17019017

IUPAC1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C19H20FN3O2/c1-13-6-9-21-17(12-13)22-18(24)14-7-10-23(11-8-14)19(25)15-4-2-3-5-16(15)20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,21,22,24)
InChIKeyKYBHVOAQFYPRAM-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.02
Rot. Bonds3

About 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 17019017) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID17019017
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C19H20FN3O2/c1-13-6-9-21-17(12-13)22-18(24)14-7-10-23(11-8-14)19(25)15-4-2-3-5-16(15)20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,21,22,24)
InChIKeyKYBHVOAQFYPRAM-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 17019017) is 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is KYBHVOAQFYPRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-6-9-21-17(12-13)22-18(24)14-7-10-23(11-8-14)19(25)15-4-2-3-5-16(15)20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,21,22,24).
What are the key properties of 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 17019017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).