N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide

C18H26N2O4 — CID 113003233

IUPACN-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-14-3-5-16(6-4-14)24-13-17(21)20-10-7-15(8-11-20)18(22)19-9-12-23-2/h3-6,15H,7-13H2,1-2H3,(H,19,22)
InChIKeyNTQCACSFVXQSBO-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.38
Rot. Bonds7

About N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide

N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 113003233) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID113003233
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-14-3-5-16(6-4-14)24-13-17(21)20-10-7-15(8-11-20)18(22)19-9-12-23-2/h3-6,15H,7-13H2,1-2H3,(H,19,22)
InChIKeyNTQCACSFVXQSBO-UHFFFAOYSA-N
XLogP1.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.38
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

1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974467
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003181
1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003971
N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113006540
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552317
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide (CID 113003233) is N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide is COCCNC(=O)C1CCN(C(=O)COc2ccc(C)cc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is NTQCACSFVXQSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-14-3-5-16(6-4-14)24-13-17(21)20-10-7-15(8-11-20)18(22)19-9-12-23-2/h3-6,15H,7-13H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113003233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).