N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide

C17H26N2O3 — CID 108890746

IUPACN-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCCOc1ccc(OCNC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-4-21-15-5-7-16(8-6-15)22-12-18-17(20)19-10-13(2)9-14(3)11-19/h5-8,13-14H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyZYNIFKNRHKHXSW-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.11
Rot. Bonds5

About N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide

N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 108890746) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID108890746
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCCOc1ccc(OCNC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-4-21-15-5-7-16(8-6-15)22-12-18-17(20)19-10-13(2)9-14(3)11-19/h5-8,13-14H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyZYNIFKNRHKHXSW-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide
CID 108892936
N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108885205
N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108877135
4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide
CID 108890763
N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
CID 108890876
4-acetyl-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888799
N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577700
1-[3-(4-ethoxyphenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118652
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
1-[4-(4-fluorophenoxy)butylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122228

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide (CID 108890746) is N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide is CCOc1ccc(OCNC(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is ZYNIFKNRHKHXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-21-15-5-7-16(8-6-15)22-12-18-17(20)19-10-13(2)9-14(3)11-19/h5-8,13-14H,4,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide?
N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108890746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).