N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide

C16H22F2N2O3 — CID 119768211

IUPACN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(C)c(OCC(F)F)c2)CCNCC1
InChIInChI=1S/C16H22F2N2O3/c1-11-3-4-12(9-13(11)23-10-14(17)18)20-15(21)16(22-2)5-7-19-8-6-16/h3-4,9,14,19H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyOEQXEKQKTAEBRZ-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.35
Rot. Bonds6

About N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide

N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119768211) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119768211
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(C)c(OCC(F)F)c2)CCNCC1
InChIInChI=1S/C16H22F2N2O3/c1-11-3-4-12(9-13(11)23-10-14(17)18)20-15(21)16(22-2)5-7-19-8-6-16/h3-4,9,14,19H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyOEQXEKQKTAEBRZ-UHFFFAOYSA-N
XLogP2.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930337
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
CID 119314646
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119770540
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
N-(4-cyclopentyloxy-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119806534
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide (CID 119768211) is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2ccc(C)c(OCC(F)F)c2)CCNCC1.
What is the InChIKey of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is OEQXEKQKTAEBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-11-3-4-12(9-13(11)23-10-14(17)18)20-15(21)16(22-2)5-7-19-8-6-16/h3-4,9,14,19H,5-8,10H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119768211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).