N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide

C17H24F2N2O4 — CID 51124414

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NCc2ccc(OC(F)F)c(OC)c2)CC1
InChIInChI=1S/C17H24F2N2O4/c1-3-24-13-6-8-21(9-7-13)17(22)20-11-12-4-5-14(25-16(18)19)15(10-12)23-2/h4-5,10,13,16H,3,6-9,11H2,1-2H3,(H,20,22)
InChIKeyGCCXGAVHLVBXEA-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.01
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide (PubChem CID 51124414) has the molecular formula C17H24F2N2O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
PubChem CID51124414
Molecular FormulaC17H24F2N2O4
Molecular Weight358.39 g/mol
Exact Mass358.17
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NCc2ccc(OC(F)F)c(OC)c2)CC1
InChIInChI=1S/C17H24F2N2O4/c1-3-24-13-6-8-21(9-7-13)17(22)20-11-12-4-5-14(25-16(18)19)15(10-12)23-2/h4-5,10,13,16H,3,6-9,11H2,1-2H3,(H,20,22)
InChIKeyGCCXGAVHLVBXEA-UHFFFAOYSA-N
XLogP3.01
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456
1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide
CID 47065802
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 46486397
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559688
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959667
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
4-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958268
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 47009227
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide
CID 138052960
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide (CID 51124414) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide is CCOC1CCN(C(=O)NCc2ccc(OC(F)F)c(OC)c2)CC1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide?
The InChIKey is GCCXGAVHLVBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O4/c1-3-24-13-6-8-21(9-7-13)17(22)20-11-12-4-5-14(25-16(18)19)15(10-12)23-2/h4-5,10,13,16H,3,6-9,11H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 51124414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).