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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Related Compounds

4-[4-(3,4-difluorophenyl)-1,3,5-triazin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 46935928
(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
[4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 138005571
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 30837593
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(3,4-dichlorophenyl)-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802674
(3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 110874220
2,2-bis[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperazine-1,4-dicarboxamide
CID 130248002
1-[4-[6-(3-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 50841058
4-[5-[3-[(diaminomethylidenecarbamoylamino)methyl]phenyl]pyrimidin-2-yl]piperazine-1-carboxamide
CID 118132495
4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567185
(2S)-1-[4-[2-(3-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 93122424

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).