2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone

C30H33F3N4O2 — CID 58456868

IUPAC2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone
SMILESO=C(CC1CCN(Cc2ccncc2)CC1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1
InChIInChI=1S/C30H33F3N4O2/c31-30(32,33)24-1-3-25(4-2-24)37-17-10-26(11-18-37)39-27-7-14-35-28(20-27)29(38)19-22-8-15-36(16-9-22)21-23-5-12-34-13-6-23/h1-7,12-14,20,22,26H,8-11,15-19,21H2
InChIKeyDLKJIAIWMMEFIX-UHFFFAOYSA-N
MW538.61 g/mol
LogP6.03
Rot. Bonds8

About 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone

2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone (PubChem CID 58456868) has the molecular formula C30H33F3N4O2 and a molecular weight of 538.61 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone
PubChem CID58456868
Molecular FormulaC30H33F3N4O2
Molecular Weight538.61 g/mol
Exact Mass538.26
IUPAC Name2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone
SMILESO=C(CC1CCN(Cc2ccncc2)CC1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1
InChIInChI=1S/C30H33F3N4O2/c31-30(32,33)24-1-3-25(4-2-24)37-17-10-26(11-18-37)39-27-7-14-35-28(20-27)29(38)19-22-8-15-36(16-9-22)21-23-5-12-34-13-6-23/h1-7,12-14,20,22,26H,8-11,15-19,21H2
InChIKeyDLKJIAIWMMEFIX-UHFFFAOYSA-N
XLogP6.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone with MolForge

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Related Compounds

2-[4-({4-[(Pyridin-4-yloxy)methyl]phenyl}methyl)piperidine-1-carbonyl]pyridine
CID 124076759
4-(4-Fluorophenyl)-5-(4-((2-(trifluoromethyl)pyridin-4-yl)oxy)piperidin-1-yl)picolinamide
CID 122539776
N-(1-(pyridin-4-ylmethyl)piperidin-4-yl)-6-(1-(4-(trifluoromethyl)phenyl)piperidin-4-yloxy)picolinamide
CID 42629215
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 42630421
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 42630786
N-[1-[(4-isocyanophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 57765792
2-[6-(4-Fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073133
2-[4-(4-Fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073187
2-[1-[(3,5-Difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073223
2-[1-(4-Fluorophenyl)piperidin-4-yl]-1-[6-[4-(4-isocyanophenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073257
1-[5-[4-(3,4-Difluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
CID 58073331
2-[1-[(3,5-Difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-(4-isocyanophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073346

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone?
The IUPAC name of 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone (CID 58456868) is 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone?
The canonical SMILES for 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone is O=C(CC1CCN(Cc2ccncc2)CC1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1.
What is the InChIKey of 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone?
The InChIKey is DLKJIAIWMMEFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N4O2/c31-30(32,33)24-1-3-25(4-2-24)37-17-10-26(11-18-37)39-27-7-14-35-28(20-27)29(38)19-22-8-15-36(16-9-22)21-23-5-12-34-13-6-23/h1-7,12-14,20,22,26H,8-11,15-19,21H2.
What are the key properties of 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone?
2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone has a molecular weight of 538.61 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone is sourced from PubChem (CID 58456868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).