N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide

C15H20F2N2O3 — CID 119700383

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccccc2OC(F)F)CCNCC1
InChIInChI=1S/C15H20F2N2O3/c1-21-15(6-8-18-9-7-15)13(20)19-10-11-4-2-3-5-12(11)22-14(16)17/h2-5,14,18H,6-10H2,1H3,(H,19,20)
InChIKeyBEYOMVMIQANYNX-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.67
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119700383) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119700383
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccccc2OC(F)F)CCNCC1
InChIInChI=1S/C15H20F2N2O3/c1-21-15(6-8-18-9-7-15)13(20)19-10-11-4-2-3-5-12(11)22-14(16)17/h2-5,14,18H,6-10H2,1H3,(H,19,20)
InChIKeyBEYOMVMIQANYNX-UHFFFAOYSA-N
XLogP1.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119744427
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119810510
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119708895
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119800235
N-[[2-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718350
4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119755232
1-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 47085091
1-cyano-N-[[2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 51321565
4-methoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119846798
4-methoxy-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853784

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide (CID 119700383) is N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCc2ccccc2OC(F)F)CCNCC1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is BEYOMVMIQANYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-21-15(6-8-18-9-7-15)13(20)19-10-11-4-2-3-5-12(11)22-14(16)17/h2-5,14,18H,6-10H2,1H3,(H,19,20).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119700383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).