N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C22H28N2O4 — CID 120617171

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C3(COC)CCNCC3)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-3-27-18-8-10-20(11-9-18)28-19-6-4-17(5-7-19)24-21(25)22(16-26-2)12-14-23-15-13-22/h4-11,23H,3,12-16H2,1-2H3,(H,24,25)
InChIKeyHFTQKNAOFLIMFM-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.83
Rot. Bonds8

About N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120617171) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120617171
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C3(COC)CCNCC3)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-3-27-18-8-10-20(11-9-18)28-19-6-4-17(5-7-19)24-21(25)22(16-26-2)12-14-23-15-13-22/h4-11,23H,3,12-16H2,1-2H3,(H,24,25)
InChIKeyHFTQKNAOFLIMFM-UHFFFAOYSA-N
XLogP3.83
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119680034
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120617162
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624362
N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120629418
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116
[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 175264615
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120617171) is N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is CCOc1ccc(Oc2ccc(NC(=O)C3(COC)CCNCC3)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is HFTQKNAOFLIMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-27-18-8-10-20(11-9-18)28-19-6-4-17(5-7-19)24-21(25)22(16-26-2)12-14-23-15-13-22/h4-11,23H,3,12-16H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120617171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).