1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide

C17H22N6O — CID 46907725

IUPAC1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2ncnc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C17H22N6O/c1-22(2)14-5-3-4-13(10-14)16-19-11-20-17(21-16)23-8-6-12(7-9-23)15(18)24/h3-5,10-12H,6-9H2,1-2H3,(H2,18,24)
InChIKeyPIWSNXUGFPPTEE-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.31
Rot. Bonds4

About 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide

1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide (PubChem CID 46907725) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide
PubChem CID46907725
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2ncnc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C17H22N6O/c1-22(2)14-5-3-4-13(10-14)16-19-11-20-17(21-16)23-8-6-12(7-9-23)15(18)24/h3-5,10-12H,6-9H2,1-2H3,(H2,18,24)
InChIKeyPIWSNXUGFPPTEE-UHFFFAOYSA-N
XLogP1.31
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide (CID 46907725) is 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide is CN(C)c1cccc(-c2ncnc(N3CCC(C(N)=O)CC3)n2)c1.
What is the InChIKey of 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The InChIKey is PIWSNXUGFPPTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22(2)14-5-3-4-13(10-14)16-19-11-20-17(21-16)23-8-6-12(7-9-23)15(18)24/h3-5,10-12H,6-9H2,1-2H3,(H2,18,24).
What are the key properties of 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).