4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide

C21H20F4N2O4 — CID 3261302

IUPAC4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)CC1
InChIInChI=1S/C21H20F4N2O4/c1-29-17-5-3-2-4-15(17)13-8-10-27(11-9-13)19(28)26-14-6-7-18-16(12-14)20(22,23)31-21(24,25)30-18/h2-7,12-13H,8-11H2,1H3,(H,26,28)
InChIKeyFWHWECREHOHCQM-UHFFFAOYSA-N
MW440.39 g/mol
LogP5.12
Rot. Bonds3

About 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide

4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide (PubChem CID 3261302) has the molecular formula C21H20F4N2O4 and a molecular weight of 440.39 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide
PubChem CID3261302
Molecular FormulaC21H20F4N2O4
Molecular Weight440.39 g/mol
Exact Mass440.14
IUPAC Name4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)CC1
InChIInChI=1S/C21H20F4N2O4/c1-29-17-5-3-2-4-15(17)13-8-10-27(11-9-13)19(28)26-14-6-7-18-16(12-14)20(22,23)31-21(24,25)30-18/h2-7,12-13H,8-11H2,1H3,(H,26,28)
InChIKeyFWHWECREHOHCQM-UHFFFAOYSA-N
XLogP5.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide
CID 4983411
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 5161698
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
(6R)-6-(hydroxymethyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)-1,4-oxazepane-4-carboxamide
CID 97280869
N-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 72837983
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 3746837
4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide
CID 71895897
N-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carbothioamide
CID 5010652
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 95312643
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
methyl 4-[[4-(2-methoxyphenyl)piperidine-1-carbothioyl]amino]benzoate
CID 3779210

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide (CID 3261302) is 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide is COc1ccccc1C1CCN(C(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide?
The InChIKey is FWHWECREHOHCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O4/c1-29-17-5-3-2-4-15(17)13-8-10-27(11-9-13)19(28)26-14-6-7-18-16(12-14)20(22,23)31-21(24,25)30-18/h2-7,12-13H,8-11H2,1H3,(H,26,28).
What are the key properties of 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide?
4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide has a molecular weight of 440.39 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3261302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).