(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone

C25H30F3N3O — CID 110250008

IUPAC(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCN1CCC(C(=O)N2CCCC(c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)CC1
InChIInChI=1S/C25H30F3N3O/c1-30-14-11-19(12-15-30)24(32)31-13-3-4-20(17-31)23-6-2-5-22(29-23)16-18-7-9-21(10-8-18)25(26,27)28/h2,5-10,19-20H,3-4,11-17H2,1H3
InChIKeyBXWPWIFORPLIRV-UHFFFAOYSA-N
MW445.53 g/mol
LogP4.74
Rot. Bonds4

About (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone

(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110250008) has the molecular formula C25H30F3N3O and a molecular weight of 445.53 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110250008
Molecular FormulaC25H30F3N3O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Name(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCN1CCC(C(=O)N2CCCC(c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)CC1
InChIInChI=1S/C25H30F3N3O/c1-30-14-11-19(12-15-30)24(32)31-13-3-4-20(17-31)23-6-2-5-22(29-23)16-18-7-9-21(10-8-18)25(26,27)28/h2,5-10,19-20H,3-4,11-17H2,1H3
InChIKeyBXWPWIFORPLIRV-UHFFFAOYSA-N
XLogP4.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249351
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
2-pyridin-4-yl-1-[(3S)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95809801
1-[4-[(3S)-3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95810381
3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95810084
cyclobutyl-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249572
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670
cyclopentyl-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809983
2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810474
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110093302
N,N-dimethyl-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818200

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 110250008) is (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is CN1CCC(C(=O)N2CCCC(c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is BXWPWIFORPLIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O/c1-30-14-11-19(12-15-30)24(32)31-13-3-4-20(17-31)23-6-2-5-22(29-23)16-18-7-9-21(10-8-18)25(26,27)28/h2,5-10,19-20H,3-4,11-17H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 445.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110250008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).