1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C26H29F3N6O — CID 25261618

IUPAC1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESC[C@@H](CNc1ncnc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1)c1ccccc1
InChIInChI=1S/C26H29F3N6O/c1-18(19-7-3-2-4-8-19)15-31-24-32-17-33-25(34-24)35-13-11-20(12-14-35)23(36)30-16-21-9-5-6-10-22(21)26(27,28)29/h2-10,17-18,20H,11-16H2,1H3,(H,30,36)(H,31,32,33,34)/t18-/m0/s1
InChIKeyGSQYNQOLBBUVNS-SFHVURJKSA-N
MW498.55 g/mol
LogP4.64
Rot. Bonds8

About 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 25261618) has the molecular formula C26H29F3N6O and a molecular weight of 498.55 g/mol. Its IUPAC name is 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID25261618
Molecular FormulaC26H29F3N6O
Molecular Weight498.55 g/mol
Exact Mass498.24
IUPAC Name1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESC[C@@H](CNc1ncnc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1)c1ccccc1
InChIInChI=1S/C26H29F3N6O/c1-18(19-7-3-2-4-8-19)15-31-24-32-17-33-25(34-24)35-13-11-20(12-14-35)23(36)30-16-21-9-5-6-10-22(21)26(27,28)29/h2-10,17-18,20H,11-16H2,1H3,(H,30,36)(H,31,32,33,34)/t18-/m0/s1
InChIKeyGSQYNQOLBBUVNS-SFHVURJKSA-N
XLogP4.64
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261927
1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447717
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 59242543
1-[4-(methylamino)-6-thiophen-3-yl-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261291
1-[4-(3-cyanophenyl)-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447724
1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53165559
1-[4,6-bis[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261925
1-[4-(2,4-dimethoxyphenyl)-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447741
1-[2-methyl-6-(methylamino)-4-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655311
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53165799
4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]imino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 162555195
tert-butyl-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]carbamic acid
CID 67331195

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 25261618) is 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is C[C@@H](CNc1ncnc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1)c1ccccc1.
What is the InChIKey of 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is GSQYNQOLBBUVNS-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29F3N6O/c1-18(19-7-3-2-4-8-19)15-31-24-32-17-33-25(34-24)35-13-11-20(12-14-35)23(36)30-16-21-9-5-6-10-22(21)26(27,28)29/h2-10,17-18,20H,11-16H2,1H3,(H,30,36)(H,31,32,33,34)/t18-/m0/s1.
What are the key properties of 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 498.55 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25261618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).