2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate

C19H26N2O5 — CID 17339118

IUPAC2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5/c1-25-13-14-26-18(23)10-9-17(22)20-16-8-4-3-7-15(16)19(24)21-11-5-2-6-12-21/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,20,22)
InChIKeyKHJNQVABVSLECZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.22
Rot. Bonds8

About 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate

2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate (PubChem CID 17339118) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
PubChem CID17339118
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5/c1-25-13-14-26-18(23)10-9-17(22)20-16-8-4-3-7-15(16)19(24)21-11-5-2-6-12-21/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,20,22)
InChIKeyKHJNQVABVSLECZ-UHFFFAOYSA-N
XLogP2.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 4938077
2-methoxyethyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoate
CID 17199104
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339136
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17339119
3-(3-methoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 35279052
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate?
The IUPAC name of 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate (CID 17339118) is 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate.
What is the SMILES notation for 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate?
The canonical SMILES for 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate is COCCOC(=O)CCC(=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate?
The InChIKey is KHJNQVABVSLECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-25-13-14-26-18(23)10-9-17(22)20-16-8-4-3-7-15(16)19(24)21-11-5-2-6-12-21/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,20,22).
What are the key properties of 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate?
2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate has a molecular weight of 362.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate is sourced from PubChem (CID 17339118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).