N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide

C14H21F3N6O — CID 122254620

IUPACN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C14H21F3N6O/c1-22(2)12-19-10(9-18-11(24)8-14(15,16)17)20-13(21-12)23-6-4-3-5-7-23/h3-9H2,1-2H3,(H,18,24)
InChIKeyIOKRBKRNQFUNQP-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.50
Rot. Bonds5

About N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 122254620) has the molecular formula C14H21F3N6O and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
PubChem CID122254620
Molecular FormulaC14H21F3N6O
Molecular Weight346.36 g/mol
Exact Mass346.17
IUPAC NameN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C14H21F3N6O/c1-22(2)12-19-10(9-18-11(24)8-14(15,16)17)20-13(21-12)23-6-4-3-5-7-23/h3-9H2,1-2H3,(H,18,24)
InChIKeyIOKRBKRNQFUNQP-UHFFFAOYSA-N
XLogP1.50
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide with MolForge

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Related Compounds

1-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 86868070
3,3,3-trifluoro-N-((4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 121137676
3,3,3-trifluoro-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)propanamide
CID 121137801
N-((4-(dimethylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 121137996
N-((4-(dimethylamino)-6-morpholino-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 121138114
N-((4,6-dimethoxy-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122252814
N-((4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122253025
3,3,3-trifluoro-N-((4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 122253603
N-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254089
1-[4-[[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133419277
3-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 133421694
1-[1-[4-Amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one
CID 136568972

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (CID 122254620) is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide is CN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The InChIKey is IOKRBKRNQFUNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N6O/c1-22(2)12-19-10(9-18-11(24)8-14(15,16)17)20-13(21-12)23-6-4-3-5-7-23/h3-9H2,1-2H3,(H,18,24).
What are the key properties of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 346.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122254620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).