N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide

C16H18F3N3O3 — CID 136542036

IUPACN-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)ccn1)C1CC1
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)15(25)4-7-22(8-5-15)14(24)11-3-6-20-12(9-11)21-13(23)10-1-2-10/h3,6,9-10,25H,1-2,4-5,7-8H2,(H,20,21,23)
InChIKeyXUOOTJLMDVQGRX-UHFFFAOYSA-N
MW357.33 g/mol
LogP1.96
Rot. Bonds3

About N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 136542036) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID136542036
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC NameN-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)ccn1)C1CC1
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)15(25)4-7-22(8-5-15)14(24)11-3-6-20-12(9-11)21-13(23)10-1-2-10/h3,6,9-10,25H,1-2,4-5,7-8H2,(H,20,21,23)
InChIKeyXUOOTJLMDVQGRX-UHFFFAOYSA-N
XLogP1.96
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
CID 138000668
(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 110016650
N-[4-(4-ethyl-2-methylpiperazine-1-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 136542227
(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 65286887
3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
CID 62930860
2-(cyclopropanecarbonylamino)-N-(1-methylimidazol-4-yl)pyridine-4-carboxamide
CID 118065444
N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
CID 61294389
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
(2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
CID 154852886
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
N-[4-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepane-1-carbonyl]-2-pyridinyl]acetamide
CID 155991080

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide (CID 136542036) is N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)ccn1)C1CC1.
What is the InChIKey of N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is XUOOTJLMDVQGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c17-16(18,19)15(25)4-7-22(8-5-15)14(24)11-3-6-20-12(9-11)21-13(23)10-1-2-10/h3,6,9-10,25H,1-2,4-5,7-8H2,(H,20,21,23).
What are the key properties of N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 357.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 136542036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).