(3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

C20H21F4N3O2 — CID 90405402

IUPAC(3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCOc1c(F)cccc1C(=O)N1CCC[C@H](Nc2ccc(C(F)(F)F)cn2)[C@H]1C
InChIInChI=1S/C20H21F4N3O2/c1-12-16(26-17-9-8-13(11-25-17)20(22,23)24)7-4-10-27(12)19(28)14-5-3-6-15(21)18(14)29-2/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3,(H,25,26)/t12-,16+/m1/s1
InChIKeyZILMUNRLMDJIDQ-WBMJQRKESA-N
MW411.40 g/mol
LogP4.35
Rot. Bonds4

About (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

(3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 90405402) has the molecular formula C20H21F4N3O2 and a molecular weight of 411.40 g/mol. Its IUPAC name is (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID90405402
Molecular FormulaC20H21F4N3O2
Molecular Weight411.40 g/mol
Exact Mass411.16
IUPAC Name(3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCOc1c(F)cccc1C(=O)N1CCC[C@H](Nc2ccc(C(F)(F)F)cn2)[C@H]1C
InChIInChI=1S/C20H21F4N3O2/c1-12-16(26-17-9-8-13(11-25-17)20(22,23)24)7-4-10-27(12)19(28)14-5-3-6-15(21)18(14)29-2/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3,(H,25,26)/t12-,16+/m1/s1
InChIKeyZILMUNRLMDJIDQ-WBMJQRKESA-N
XLogP4.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

Mppf F-18
CID 449646
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Gsk-1059865
CID 44463491
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
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CID 790124
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-methoxyphenyl)ethyl]urea
CID 475282
6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide
CID 138756256
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
N-(2-(4-(3-cyanopyridin-2-yl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 49788869

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 90405402) is (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is COc1c(F)cccc1C(=O)N1CCC[C@H](Nc2ccc(C(F)(F)F)cn2)[C@H]1C.
What is the InChIKey of (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is ZILMUNRLMDJIDQ-WBMJQRKESA-N. The full InChI is InChI=1S/C20H21F4N3O2/c1-12-16(26-17-9-8-13(11-25-17)20(22,23)24)7-4-10-27(12)19(28)14-5-3-6-15(21)18(14)29-2/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3,(H,25,26)/t12-,16+/m1/s1.
What are the key properties of (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
(3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 411.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 90405402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).