1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone

C18H18F3N3O2 — CID 168923879

IUPAC1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N1CCCC(O)(c2cccnc2)C1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-4-13(10-23-15)9-16(25)24-8-2-6-17(26,12-24)14-3-1-7-22-11-14/h1,3-5,7,10-11,26H,2,6,8-9,12H2
InChIKeyUFMSFHWAKXSYEF-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.55
Rot. Bonds3

About 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone

1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 168923879) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID168923879
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N1CCCC(O)(c2cccnc2)C1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-4-13(10-23-15)9-16(25)24-8-2-6-17(26,12-24)14-3-1-7-22-11-14/h1,3-5,7,10-11,26H,2,6,8-9,12H2
InChIKeyUFMSFHWAKXSYEF-UHFFFAOYSA-N
XLogP2.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718
1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 129482480
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
1-[(5R)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 97370532
1-[8-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-pyridin-3-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 155827126
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
(5R)-N,N-dimethyl-9-(2-pyridin-3-ylacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97370537
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 98776766
1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one
CID 166246481
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
CID 92573903
1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol
CID 166308751

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone (CID 168923879) is 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone is O=C(Cc1ccc(C(F)(F)F)nc1)N1CCCC(O)(c2cccnc2)C1.
What is the InChIKey of 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is UFMSFHWAKXSYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-4-13(10-23-15)9-16(25)24-8-2-6-17(26,12-24)14-3-1-7-22-11-14/h1,3-5,7,10-11,26H,2,6,8-9,12H2.
What are the key properties of 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 365.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 168923879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).