4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide

C14H15FN6O — CID 138022815

IUPAC4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ncnc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C14H15FN6O/c15-11-3-1-2-10(8-11)12-17-9-18-14(19-12)21-6-4-20(5-7-21)13(16)22/h1-3,8-9H,4-7H2,(H2,16,22)
InChIKeyORIQOJRFULBOER-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.88
Rot. Bonds2

About 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide

4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide (PubChem CID 138022815) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide
PubChem CID138022815
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ncnc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C14H15FN6O/c15-11-3-1-2-10(8-11)12-17-9-18-14(19-12)21-6-4-20(5-7-21)13(16)22/h1-3,8-9H,4-7H2,(H2,16,22)
InChIKeyORIQOJRFULBOER-UHFFFAOYSA-N
XLogP0.88
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide (CID 138022815) is 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide is NC(=O)N1CCN(c2ncnc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide?
The InChIKey is ORIQOJRFULBOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O/c15-11-3-1-2-10(8-11)12-17-9-18-14(19-12)21-6-4-20(5-7-21)13(16)22/h1-3,8-9H,4-7H2,(H2,16,22).
What are the key properties of 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide?
4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 138022815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).