(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone

C14H20FN3O — CID 104637888

IUPAC(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C14H20FN3O/c1-2-7-16-12-5-8-18(9-6-12)14(19)13-4-3-11(15)10-17-13/h3-4,10,12,16H,2,5-9H2,1H3
InChIKeyQLHKQIDOWSEGDB-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.82
Rot. Bonds4

About (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone

(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone (PubChem CID 104637888) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
PubChem CID104637888
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C14H20FN3O/c1-2-7-16-12-5-8-18(9-6-12)14(19)13-4-3-11(15)10-17-13/h3-4,10,12,16H,2,5-9H2,1H3
InChIKeyQLHKQIDOWSEGDB-UHFFFAOYSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 106839149
(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60818593
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104668815
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 114681667
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 102964768
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104642023
1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine
CID 104605818
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895
(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107674300

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone (CID 104637888) is (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)c2ccc(F)cn2)CC1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is QLHKQIDOWSEGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-7-16-12-5-8-18(9-6-12)14(19)13-4-3-11(15)10-17-13/h3-4,10,12,16H,2,5-9H2,1H3.
What are the key properties of (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone?
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 265.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 104637888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).