[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone

C15H21FN4O — CID 18432757

IUPAC[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCN(c2ccncc2F)CC1)N1CCNCC1
InChIInChI=1S/C15H21FN4O/c16-13-11-18-4-1-14(13)19-7-2-12(3-8-19)15(21)20-9-5-17-6-10-20/h1,4,11-12,17H,2-3,5-10H2
InChIKeyCRGIDMIRKDJUQF-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.87
Rot. Bonds2

About [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone

[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone (PubChem CID 18432757) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone
PubChem CID18432757
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCN(c2ccncc2F)CC1)N1CCNCC1
InChIInChI=1S/C15H21FN4O/c16-13-11-18-4-1-14(13)19-7-2-12(3-8-19)15(21)20-9-5-17-6-10-20/h1,4,11-12,17H,2-3,5-10H2
InChIKeyCRGIDMIRKDJUQF-UHFFFAOYSA-N
XLogP0.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone (CID 18432757) is [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone is O=C(C1CCN(c2ccncc2F)CC1)N1CCNCC1.
What is the InChIKey of [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone?
The InChIKey is CRGIDMIRKDJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c16-13-11-18-4-1-14(13)19-7-2-12(3-8-19)15(21)20-9-5-17-6-10-20/h1,4,11-12,17H,2-3,5-10H2.
What are the key properties of [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone?
[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone has a molecular weight of 292.36 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 18432757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).