1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile

C12H12FN3O — CID 64949689

IUPAC1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C(=O)c1ccncc1F
InChIInChI=1S/C12H12FN3O/c13-11-8-15-5-4-10(11)12(17)16-6-2-1-3-9(16)7-14/h4-5,8-9H,1-3,6H2
InChIKeyNYEURUHTGJMIBV-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.74
Rot. Bonds1

About 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile

1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile (PubChem CID 64949689) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile
PubChem CID64949689
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C(=O)c1ccncc1F
InChIInChI=1S/C12H12FN3O/c13-11-8-15-5-4-10(11)12(17)16-6-2-1-3-9(16)7-14/h4-5,8-9H,1-3,6H2
InChIKeyNYEURUHTGJMIBV-UHFFFAOYSA-N
XLogP1.74
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 64950702
1-(2,3,4-trifluorobenzoyl)pyrrolidine-2-carbonitrile
CID 79016668
N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 115645845
(3-fluoro-4-pyridinyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993661
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
1-(2-bromo-5-chlorobenzoyl)piperidine-2-carbonitrile
CID 114027649
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950110
1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile
CID 106501014
1-(4-fluoro-2-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 113399970
1-(4-fluoro-2-iodobenzoyl)pyrrolidine-2-carbonitrile
CID 114029268
(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 113240934
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile?
The IUPAC name of 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile (CID 64949689) is 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile is N#CC1CCCCN1C(=O)c1ccncc1F.
What is the InChIKey of 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile?
The InChIKey is NYEURUHTGJMIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-11-8-15-5-4-10(11)12(17)16-6-2-1-3-9(16)7-14/h4-5,8-9H,1-3,6H2.
What are the key properties of 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile?
1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile has a molecular weight of 233.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile is sourced from PubChem (CID 64949689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).