(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide

C18H26N2O4 — CID 124756393

IUPAC(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide
SMILESCCOCCOc1ccccc1C(=O)N1CCCC[C@H]1C(=O)NC
InChIInChI=1S/C18H26N2O4/c1-3-23-12-13-24-16-10-5-4-8-14(16)18(22)20-11-7-6-9-15(20)17(21)19-2/h4-5,8,10,15H,3,6-7,9,11-13H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeySOQGMLLQTSSZHI-HNNXBMFYSA-N
MW334.42 g/mol
LogP1.84
Rot. Bonds7

About (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide

(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 124756393) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide
PubChem CID124756393
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide
SMILESCCOCCOc1ccccc1C(=O)N1CCCC[C@H]1C(=O)NC
InChIInChI=1S/C18H26N2O4/c1-3-23-12-13-24-16-10-5-4-8-14(16)18(22)20-11-7-6-9-15(20)17(21)19-2/h4-5,8,10,15H,3,6-7,9,11-13H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeySOQGMLLQTSSZHI-HNNXBMFYSA-N
XLogP1.84
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 ≤ 51.84
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-hydroxy-3-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 60968549
(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 125163469
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
1-[2-(3-aminopropoxy)-4-chlorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 118774005
(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249422
1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61052177
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 60592901
(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 51953533
2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 120550261
(2R)-1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 79035089

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide (CID 124756393) is (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide is CCOCCOc1ccccc1C(=O)N1CCCC[C@H]1C(=O)NC.
What is the InChIKey of (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is SOQGMLLQTSSZHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-23-12-13-24-16-10-5-4-8-14(16)18(22)20-11-7-6-9-15(20)17(21)19-2/h4-5,8,10,15H,3,6-7,9,11-13H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide?
(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 124756393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).