2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile

C15H19FN4O — CID 104785831

IUPAC2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C15H19FN4O/c1-2-3-14(9-17)19-4-6-20(7-5-19)15(21)12-8-13(16)11-18-10-12/h8,10-11,14H,2-7H2,1H3
InChIKeyPAQOCLDMRVVHKE-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.67
Rot. Bonds4

About 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile

2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile (PubChem CID 104785831) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile
PubChem CID104785831
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C15H19FN4O/c1-2-3-14(9-17)19-4-6-20(7-5-19)15(21)12-8-13(16)11-18-10-12/h8,10-11,14H,2-7H2,1H3
InChIKeyPAQOCLDMRVVHKE-UHFFFAOYSA-N
XLogP1.67
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-fluorobenzoyl)piperazin-1-yl]pentanenitrile
CID 63337908
2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile
CID 114820632
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
CID 63337295
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile
CID 63337910
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 138806201
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979
[4-(4-aminobutyl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 104785306
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile
CID 115298698

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile (CID 104785831) is 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(C(=O)c2cncc(F)c2)CC1.
What is the InChIKey of 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile?
The InChIKey is PAQOCLDMRVVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-2-3-14(9-17)19-4-6-20(7-5-19)15(21)12-8-13(16)11-18-10-12/h8,10-11,14H,2-7H2,1H3.
What are the key properties of 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile?
2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile has a molecular weight of 290.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 104785831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).