N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide

C21H32N2O3 — CID 55949891

IUPACN-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)COc2ccc(CC)cc2)CC1
InChIInChI=1S/C21H32N2O3/c1-4-6-13-22(3)21(25)18-11-14-23(15-12-18)20(24)16-26-19-9-7-17(5-2)8-10-19/h7-10,18H,4-6,11-16H2,1-3H3
InChIKeyAZPDJXFKMGEYTL-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.12
Rot. Bonds8

About N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55949891) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
PubChem CID55949891
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)COc2ccc(CC)cc2)CC1
InChIInChI=1S/C21H32N2O3/c1-4-6-13-22(3)21(25)18-11-14-23(15-12-18)20(24)16-26-19-9-7-17(5-2)8-10-19/h7-10,18H,4-6,11-16H2,1-3H3
InChIKeyAZPDJXFKMGEYTL-UHFFFAOYSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide
CID 55950662
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119517242
N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685
1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55870530
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
CID 143724139

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide (CID 55949891) is N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)COc2ccc(CC)cc2)CC1.
What is the InChIKey of N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is AZPDJXFKMGEYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-6-13-22(3)21(25)18-11-14-23(15-12-18)20(24)16-26-19-9-7-17(5-2)8-10-19/h7-10,18H,4-6,11-16H2,1-3H3.
What are the key properties of N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55949891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).