spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone

C25H27F3N2O — CID 110264157

IUPACspiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(C1CC12CCC2)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C25H27F3N2O/c26-25(27,28)20-5-2-17(3-6-20)14-18-4-7-22(29-16-18)19-8-12-30(13-9-19)23(31)21-15-24(21)10-1-11-24/h2-7,16,19,21H,1,8-15H2
InChIKeyJPAKYXOJAPYBQP-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.59
Rot. Bonds4

About spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone

spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110264157) has the molecular formula C25H27F3N2O and a molecular weight of 428.50 g/mol. Its IUPAC name is spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namespiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110264157
Molecular FormulaC25H27F3N2O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Namespiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(C1CC12CCC2)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C25H27F3N2O/c26-25(27,28)20-5-2-17(3-6-20)14-18-4-7-22(29-16-18)19-8-12-30(13-9-19)23(31)21-15-24(21)10-1-11-24/h2-7,16,19,21H,1,8-15H2
InChIKeyJPAKYXOJAPYBQP-UHFFFAOYSA-N
XLogP5.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92616487
(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92615288
[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
CID 110264183
2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110085310
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92616683
2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 152646711
cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110093302
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92616678
[4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone
CID 92616998
2-pyrrolidin-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92615605
2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810474
[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
CID 110235685

Frequently Asked Questions

What is the IUPAC name of spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 110264157) is spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is O=C(C1CC12CCC2)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1.
What is the InChIKey of spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is JPAKYXOJAPYBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O/c26-25(27,28)20-5-2-17(3-6-20)14-18-4-7-22(29-16-18)19-8-12-30(13-9-19)23(31)21-15-24(21)10-1-11-24/h2-7,16,19,21H,1,8-15H2.
What are the key properties of spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 428.50 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110264157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).