N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide

C18H28N2O4 — CID 112975668

IUPACN-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H28N2O4/c1-4-14-7-5-6-9-20(14)18(21)19-8-10-24-17-12-15(22-2)11-16(13-17)23-3/h11-14H,4-10H2,1-3H3,(H,19,21)
InChIKeyHYSWXKTVGCMKOK-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.06
Rot. Bonds7

About N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide

N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide (PubChem CID 112975668) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
PubChem CID112975668
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H28N2O4/c1-4-14-7-5-6-9-20(14)18(21)19-8-10-24-17-12-15(22-2)11-16(13-17)23-3/h11-14H,4-10H2,1-3H3,(H,19,21)
InChIKeyHYSWXKTVGCMKOK-UHFFFAOYSA-N
XLogP3.06
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112977193
N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 112975604
(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 126428815
2-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidine-1-carboxamide
CID 112970222
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979259
1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122006872
2-ethyl-N-(methoxymethyl)piperidine-1-carboxamide
CID 108893599
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
CID 109239202
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide (CID 112975668) is N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide is CCC1CCCCN1C(=O)NCCOc1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide?
The InChIKey is HYSWXKTVGCMKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-4-14-7-5-6-9-20(14)18(21)19-8-10-24-17-12-15(22-2)11-16(13-17)23-3/h11-14H,4-10H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide?
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 112975668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).