1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one

C21H25N7O — CID 58222892

IUPAC1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Cc2nc(Nn3cccn3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H25N7O/c1-16(29)14-17-6-8-18(9-7-17)15-19-23-20(26-28-13-5-10-22-28)25-21(24-19)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,24,25,26)
InChIKeyPOXMSWOMBCBONP-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.66
Rot. Bonds7

About 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one

1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one (PubChem CID 58222892) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one
PubChem CID58222892
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Cc2nc(Nn3cccn3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H25N7O/c1-16(29)14-17-6-8-18(9-7-17)15-19-23-20(26-28-13-5-10-22-28)25-21(24-19)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,24,25,26)
InChIKeyPOXMSWOMBCBONP-UHFFFAOYSA-N
XLogP2.66
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one with MolForge

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Related Compounds

N-methyl-4-(pyridin-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 104737277
1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one
CID 83888888
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-pyrazol-1-ylacetamide
CID 122356669
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737099
2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090418
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 71807259
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one (CID 58222892) is 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one is CC(=O)Cc1ccc(Cc2nc(Nn3cccn3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one?
The InChIKey is POXMSWOMBCBONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-16(29)14-17-6-8-18(9-7-17)15-19-23-20(26-28-13-5-10-22-28)25-21(24-19)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,24,25,26).
What are the key properties of 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one?
1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one has a molecular weight of 391.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one is sourced from PubChem (CID 58222892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).