(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone

C14H19FN2O — CID 142181513

IUPAC(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESCCCC1(F)CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H19FN2O/c1-2-5-14(15)6-9-17(10-7-14)13(18)12-4-3-8-16-11-12/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyXJAAEBIWFIRJSZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.83
Rot. Bonds3

About (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone

(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone (PubChem CID 142181513) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone
PubChem CID142181513
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESCCCC1(F)CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H19FN2O/c1-2-5-14(15)6-9-17(10-7-14)13(18)12-4-3-8-16-11-12/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyXJAAEBIWFIRJSZ-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493701
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
CID 97100846
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone (CID 142181513) is (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone is CCCC1(F)CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is XJAAEBIWFIRJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-5-14(15)6-9-17(10-7-14)13(18)12-4-3-8-16-11-12/h3-4,8,11H,2,5-7,9-10H2,1H3.
What are the key properties of (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone?
(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 250.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 142181513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).