N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide

C24H33FN6O2 — CID 126567186

IUPACN-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide
SMILESCN(C)C1CCC(NC(=O)C(O)C2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CC1
InChIInChI=1S/C24H33FN6O2/c1-30(2)20-9-7-19(8-10-20)27-23(33)22(32)17-11-13-31(14-12-17)24-28-21(15-26-29-24)16-3-5-18(25)6-4-16/h3-6,15,17,19-20,22,32H,7-14H2,1-2H3,(H,27,33)
InChIKeyDRKIODYAHJNWEA-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.24
Rot. Bonds6

About N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide

N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide (PubChem CID 126567186) has the molecular formula C24H33FN6O2 and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide
PubChem CID126567186
Molecular FormulaC24H33FN6O2
Molecular Weight456.57 g/mol
Exact Mass456.26
IUPAC NameN-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide
SMILESCN(C)C1CCC(NC(=O)C(O)C2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CC1
InChIInChI=1S/C24H33FN6O2/c1-30(2)20-9-7-19(8-10-20)27-23(33)22(32)17-11-13-31(14-12-17)24-28-21(15-26-29-24)16-3-5-18(25)6-4-16/h3-6,15,17,19-20,22,32H,7-14H2,1-2H3,(H,27,33)
InChIKeyDRKIODYAHJNWEA-UHFFFAOYSA-N
XLogP2.24
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide?
The IUPAC name of N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide (CID 126567186) is N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide is CN(C)C1CCC(NC(=O)C(O)C2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CC1.
What is the InChIKey of N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide?
The InChIKey is DRKIODYAHJNWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O2/c1-30(2)20-9-7-19(8-10-20)27-23(33)22(32)17-11-13-31(14-12-17)24-28-21(15-26-29-24)16-3-5-18(25)6-4-16/h3-6,15,17,19-20,22,32H,7-14H2,1-2H3,(H,27,33).
What are the key properties of N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide?
N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 456.57 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)cyclohexyl]-2-[1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 126567186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).