N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide

C15H20F3N5O3 — CID 95194251

IUPACN-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide
SMILESO=C(NCCO)c1cn([C@H]2CCCN(C(=O)C3(C(F)(F)F)CC3)C2)nn1
InChIInChI=1S/C15H20F3N5O3/c16-15(17,18)14(3-4-14)13(26)22-6-1-2-10(8-22)23-9-11(20-21-23)12(25)19-5-7-24/h9-10,24H,1-8H2,(H,19,25)/t10-/m0/s1
InChIKeyRMOOWNVLCSXMIK-JTQLQIEISA-N
MW375.35 g/mol
LogP0.51
Rot. Bonds5

About N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide

N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide (PubChem CID 95194251) has the molecular formula C15H20F3N5O3 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide
PubChem CID95194251
Molecular FormulaC15H20F3N5O3
Molecular Weight375.35 g/mol
Exact Mass375.15
IUPAC NameN-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide
SMILESO=C(NCCO)c1cn([C@H]2CCCN(C(=O)C3(C(F)(F)F)CC3)C2)nn1
InChIInChI=1S/C15H20F3N5O3/c16-15(17,18)14(3-4-14)13(26)22-6-1-2-10(8-22)23-9-11(20-21-23)12(25)19-5-7-24/h9-10,24H,1-8H2,(H,19,25)/t10-/m0/s1
InChIKeyRMOOWNVLCSXMIK-JTQLQIEISA-N
XLogP0.51
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45233837
1-[(3S)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 25290420
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide
CID 45250095
1-[(3S)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26338863
1-[1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45239626
1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide
CID 95202808
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45250926
1-[(3R)-1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26398605
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-(2-hydroxyethyl)-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45252092
N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide (CID 95194251) is N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide is O=C(NCCO)c1cn([C@H]2CCCN(C(=O)C3(C(F)(F)F)CC3)C2)nn1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is RMOOWNVLCSXMIK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20F3N5O3/c16-15(17,18)14(3-4-14)13(26)22-6-1-2-10(8-22)23-9-11(20-21-23)12(25)19-5-7-24/h9-10,24H,1-8H2,(H,19,25)/t10-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide?
N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 95194251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).