2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone

C32H32F5N3O3 — CID 58073223

IUPAC2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESO=C(CC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C32H32F5N3O3/c33-25-15-22(16-26(34)18-25)20-39-11-7-21(8-12-39)17-30(41)29-6-1-23(19-38-29)31(42)40-13-9-28(10-14-40)43-27-4-2-24(3-5-27)32(35,36)37/h1-6,15-16,18-19,21,28H,7-14,17,20H2
InChIKeyNAKMCLVOVFHOMZ-UHFFFAOYSA-N
MW601.62 g/mol
LogP6.55
Rot. Bonds8

About 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone

2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone (PubChem CID 58073223) has the molecular formula C32H32F5N3O3 and a molecular weight of 601.62 g/mol. Its IUPAC name is 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone
PubChem CID58073223
Molecular FormulaC32H32F5N3O3
Molecular Weight601.62 g/mol
Exact Mass601.24
IUPAC Name2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESO=C(CC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C32H32F5N3O3/c33-25-15-22(16-26(34)18-25)20-39-11-7-21(8-12-39)17-30(41)29-6-1-23(19-38-29)31(42)40-13-9-28(10-14-40)43-27-4-2-24(3-5-27)32(35,36)37/h1-6,15-16,18-19,21,28H,7-14,17,20H2
InChIKeyNAKMCLVOVFHOMZ-UHFFFAOYSA-N
XLogP6.55
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.62
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzyl) piperidine-1-carbonyl)picolinamide
CID 66710649
(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-methoxy-C-[4-(trifluoromethoxy)phenyl]carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
CID 9579327
(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-[4-(trifluoromethoxy)phenyl]carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
CID 9579331
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
AMPK activator 14
CID 56652377
N-(1-(4-cyanobenzyl)-3,3-difluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 56652379
(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 57412058
[(2R,3S)-2-propyl-3-(4-pyridin-4-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)pyridin-3-yl]methanone
CID 59647989
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-cyanophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710291
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710344

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The IUPAC name of 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone (CID 58073223) is 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The canonical SMILES for 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone is O=C(CC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cn1.
What is the InChIKey of 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The InChIKey is NAKMCLVOVFHOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F5N3O3/c33-25-15-22(16-26(34)18-25)20-39-11-7-21(8-12-39)17-30(41)29-6-1-23(19-38-29)31(42)40-13-9-28(10-14-40)43-27-4-2-24(3-5-27)32(35,36)37/h1-6,15-16,18-19,21,28H,7-14,17,20H2.
What are the key properties of 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone?
2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone has a molecular weight of 601.62 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 58073223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).