piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone

C23H30F3N5O — CID 42238220

IUPACpiperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone
SMILESC[C@H](Cc1cccc(C(F)(F)F)c1)N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1
InChIInChI=1S/C23H30F3N5O/c1-17(14-18-6-5-7-19(15-18)23(24,25)26)29-12-8-20(9-13-29)31-16-21(27-28-31)22(32)30-10-3-2-4-11-30/h5-7,15-17,20H,2-4,8-14H2,1H3/t17-/m1/s1
InChIKeyPSHFFPVEDLNDEU-QGZVFWFLSA-N
MW449.52 g/mol
LogP4.19
Rot. Bonds5

About piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone

piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone (PubChem CID 42238220) has the molecular formula C23H30F3N5O and a molecular weight of 449.52 g/mol. Its IUPAC name is piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone
PubChem CID42238220
Molecular FormulaC23H30F3N5O
Molecular Weight449.52 g/mol
Exact Mass449.24
IUPAC Namepiperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone
SMILESC[C@H](Cc1cccc(C(F)(F)F)c1)N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1
InChIInChI=1S/C23H30F3N5O/c1-17(14-18-6-5-7-19(15-18)23(24,25)26)29-12-8-20(9-13-29)31-16-21(27-28-31)22(32)30-10-3-2-4-11-30/h5-7,15-17,20H,2-4,8-14H2,1H3/t17-/m1/s1
InChIKeyPSHFFPVEDLNDEU-QGZVFWFLSA-N
XLogP4.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 42189413
[1-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 45172354
N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42328322
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
5-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 95146921
1-[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119349202
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
(3R)-1-[(2R)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124692978
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42501917
2-[4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-yl]pyrimidine
CID 30980798
(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 124593410

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone (CID 42238220) is piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone is C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1.
What is the InChIKey of piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone?
The InChIKey is PSHFFPVEDLNDEU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H30F3N5O/c1-17(14-18-6-5-7-19(15-18)23(24,25)26)29-12-8-20(9-13-29)31-16-21(27-28-31)22(32)30-10-3-2-4-11-30/h5-7,15-17,20H,2-4,8-14H2,1H3/t17-/m1/s1.
What are the key properties of piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone?
piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone has a molecular weight of 449.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone is sourced from PubChem (CID 42238220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).