2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

C34H35F4N3O4 — CID 147611885

IUPAC2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCN(Cc5ccc(C(F)(F)F)cc5)C[C@@H]4F)cn3)CC2)cc1
InChIInChI=1S/C34H35F4N3O4/c1-45-28-9-4-23(5-10-28)32(43)24-13-16-41(17-14-24)33(44)30-11-6-26(19-39-30)31(42)18-25-12-15-40(21-29(25)35)20-22-2-7-27(8-3-22)34(36,37)38/h2-11,19,24-25,29H,12-18,20-21H2,1H3/t25?,29-/m0/s1
InChIKeyGCDXCAUYYQTXNJ-QFCCLOIZSA-N
MW625.66 g/mol
LogP6.28
Rot. Bonds9

About 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (PubChem CID 147611885) has the molecular formula C34H35F4N3O4 and a molecular weight of 625.66 g/mol. Its IUPAC name is 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
PubChem CID147611885
Molecular FormulaC34H35F4N3O4
Molecular Weight625.66 g/mol
Exact Mass625.26
IUPAC Name2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCN(Cc5ccc(C(F)(F)F)cc5)C[C@@H]4F)cn3)CC2)cc1
InChIInChI=1S/C34H35F4N3O4/c1-45-28-9-4-23(5-10-28)32(43)24-13-16-41(17-14-24)33(44)30-11-6-26(19-39-30)31(42)18-25-12-15-40(21-29(25)35)20-22-2-7-27(8-3-22)34(36,37)38/h2-11,19,24-25,29H,12-18,20-21H2,1H3/t25?,29-/m0/s1
InChIKeyGCDXCAUYYQTXNJ-QFCCLOIZSA-N
XLogP6.28
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.66
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzyl) piperidine-1-carbonyl)picolinamide
CID 66710649
7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
(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
5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzoyl) piperazine-1-carbonyl)picolinamide
CID 56650669
AMPK activator 14
CID 56652377
N-(1-(4-cyanobenzyl)-3,3-difluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 56652379
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710293
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710384

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (CID 147611885) is 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCN(Cc5ccc(C(F)(F)F)cc5)C[C@@H]4F)cn3)CC2)cc1.
What is the InChIKey of 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The InChIKey is GCDXCAUYYQTXNJ-QFCCLOIZSA-N. The full InChI is InChI=1S/C34H35F4N3O4/c1-45-28-9-4-23(5-10-28)32(43)24-13-16-41(17-14-24)33(44)30-11-6-26(19-39-30)31(42)18-25-12-15-40(21-29(25)35)20-22-2-7-27(8-3-22)34(36,37)38/h2-11,19,24-25,29H,12-18,20-21H2,1H3/t25?,29-/m0/s1.
What are the key properties of 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone has a molecular weight of 625.66 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 147611885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).