pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

C15H17F3N2O — CID 124872122

IUPACpyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESO=C(c1ccncc1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)12-4-9-20(10-14(12)5-1-6-14)13(21)11-2-7-19-8-3-11/h2-3,7-8,12H,1,4-6,9-10H2/t12-/m0/s1
InChIKeyJXBJPCRZJUCNQL-LBPRGKRZSA-N
MW298.31 g/mol
LogP3.28
Rot. Bonds1

About pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (PubChem CID 124872122) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
PubChem CID124872122
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Namepyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESO=C(c1ccncc1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)12-4-9-20(10-14(12)5-1-6-14)13(21)11-2-7-19-8-3-11/h2-3,7-8,12H,1,4-6,9-10H2/t12-/m0/s1
InChIKeyJXBJPCRZJUCNQL-LBPRGKRZSA-N
XLogP3.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 99831311
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 71981899
(4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 138036709
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11689002
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128701518
(9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
CID 129347639

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The IUPAC name of pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (CID 124872122) is pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The canonical SMILES for pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is O=C(c1ccncc1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1.
What is the InChIKey of pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The InChIKey is JXBJPCRZJUCNQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)12-4-9-20(10-14(12)5-1-6-14)13(21)11-2-7-19-8-3-11/h2-3,7-8,12H,1,4-6,9-10H2/t12-/m0/s1.
What are the key properties of pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone has a molecular weight of 298.31 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is sourced from PubChem (CID 124872122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).