1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide

C16H22FN3O2 — CID 165431316

IUPAC1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C16H22FN3O2/c17-13-3-4-15(18-10-13)20-7-1-2-12(11-20)16(21)19-14-5-8-22-9-6-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,19,21)
InChIKeyDEAJQFOKVUGIOL-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.73
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide

1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 165431316) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID165431316
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C16H22FN3O2/c17-13-3-4-15(18-10-13)20-7-1-2-12(11-20)16(21)19-14-5-8-22-9-6-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,19,21)
InChIKeyDEAJQFOKVUGIOL-UHFFFAOYSA-N
XLogP1.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992718
N-cyclopentyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 50842519
(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 58585901
1-isoquinolin-1-yl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431884
N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 165431568
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide
CID 46474959
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 175643881

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide (CID 165431316) is 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide is O=C(NC1CCOCC1)C1CCCN(c2ccc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is DEAJQFOKVUGIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-13-3-4-15(18-10-13)20-7-1-2-12(11-20)16(21)19-14-5-8-22-9-6-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,19,21).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide?
1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 165431316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).