2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide

C14H24FN7O — CID 138751471

IUPAC2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide
SMILESO=C(CN1CCN(C2=NCC(F)N=N2)CC1)NC1CCNCC1
InChIInChI=1S/C14H24FN7O/c15-12-9-17-14(20-19-12)22-7-5-21(6-8-22)10-13(23)18-11-1-3-16-4-2-11/h11-12,16H,1-10H2,(H,18,23)
InChIKeyRGWUNDHVEMESJO-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.41
Rot. Bonds3

About 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide

2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide (PubChem CID 138751471) has the molecular formula C14H24FN7O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide
PubChem CID138751471
Molecular FormulaC14H24FN7O
Molecular Weight325.39 g/mol
Exact Mass325.20
IUPAC Name2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide
SMILESO=C(CN1CCN(C2=NCC(F)N=N2)CC1)NC1CCNCC1
InChIInChI=1S/C14H24FN7O/c15-12-9-17-14(20-19-12)22-7-5-21(6-8-22)10-13(23)18-11-1-3-16-4-2-11/h11-12,16H,1-10H2,(H,18,23)
InChIKeyRGWUNDHVEMESJO-UHFFFAOYSA-N
XLogP-0.41
TPSA84.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide (CID 138751471) is 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide is O=C(CN1CCN(C2=NCC(F)N=N2)CC1)NC1CCNCC1.
What is the InChIKey of 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide?
The InChIKey is RGWUNDHVEMESJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN7O/c15-12-9-17-14(20-19-12)22-7-5-21(6-8-22)10-13(23)18-11-1-3-16-4-2-11/h11-12,16H,1-10H2,(H,18,23).
What are the key properties of 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide?
2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide has a molecular weight of 325.39 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-5,6-dihydro-1,2,4-triazin-3-yl)piperazin-1-yl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 138751471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).